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Chemical ID: 5381210

Chemical ID:

5381210

Name [?]:

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

SMILES [?]:

Cc1nnc(o1)SCC(=O)Nc2nc(cs2)c3ccccc3

InChi [?]:

InChI=1/C14H12N4O2S2/c1-9-17-18-14(20-9)22-8-12(19)16-13-15-11(7-21-13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16,19)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,18,22,15,8,2,17,14,9,12,5,13,11,3,4,10,6,16,7/E:(3,4)(5,6)/rA:22nCCNNCOSCCONCNCCSCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂N₄O₂S₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0337
Area:	535.389
Solvation:	-3.35103
Coulombic:	-39.922

Bond Count [?]

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

Chemical Properties

Molecular Weight:	332.403
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.24
LogP (Chemaxon):	2.56

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value