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Chemical ID: 5400823

COc1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccncc4

Chemical ID:

5400823

Name [?]:

N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

SMILES [?]:

COc1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccncc4

InChi [?]:

InChI=1/C19H15N5O3S2/c1-26-14-4-2-12(3-5-14)15-10-28-18(21-15)22-16(25)11-29-19-24-23-17(27-19)13-6-8-20-9-7-13/h2-10H,11H2,1H3,(H,21,22,25)

InChi Info:

AuxInfo=1/1/N:1,5,7,4,8,25,29,26,28,10,17,6,24,3,9,15,22,12,19,27,13,14,21,20,16,2,23,11,18/E:(2,3)(4,5)(6,7)(8,9)/rA:29nCOCCCCCCCCSCNNCOCSCNNCOCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;d19;s20;d21;s19s22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₅N₅O₃S₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1815
Area:	658.798
Solvation:	-5.28841
Coulombic:	-51.8908

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	425.486
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.62
LogP (Chemaxon):	3.01

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value