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Chemical ID: 5374839

Chemical ID:

5374839

Name [?]:

2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-N-thiazol-2-yl-acetamide

SMILES [?]:

c1cc(ccc1c2csc(n2)SCC(=O)Nc3nccs3)Cl

InChi [?]:

InChI=1/C14H10ClN3OS3/c15-10-3-1-9(2-4-10)11-7-21-14(17-11)22-8-12(19)18-13-16-5-6-20-13/h1-7H,8H2,(H,16,18,19)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,19,20,8,13,6,3,7,14,17,10,22,18,11,16,15,21,9,12/E:(1,2)(3,4)/rA:22nCCCCCCCCSCNSCCONCNCCSCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₀ClN₃OS₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3144
Area:	571.502
Solvation:	-3.97316
Coulombic:	-31.6478

Bond Count [?]

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

Chemical Properties

Molecular Weight:	367.9
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.9
LogP (Chemaxon):	4.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value