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Chemical ID: 4512476

Chemical ID:

4512476

Name [?]:

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

SMILES [?]:

c1ccc(c(c1)c2nnc(o2)SCC(=O)Nc3nccs3)Cl

InChi [?]:

InChI=1/C13H9ClN4O2S2/c14-9-4-2-1-3-8(9)11-17-18-13(20-11)22-7-10(19)16-12-15-5-6-21-12/h1-6H,7H2,(H,15,16,19)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,19,20,13,5,4,14,7,17,10,22,18,16,8,9,15,11,21,12/rA:22nCCCCCCCNNCOSCCONCNCCSCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₉ClN₄O₂S₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.88
Area:	543.382
Solvation:	-3.70454
Coulombic:	-40.2786

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	352.821
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.31
LogP (Chemaxon):	3.01

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value