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Chemical ID: 4766427

Chemical ID:

4766427

Name [?]:

N-(2-chlorophenyl)-2-(3-pyridyl)thiazole-4-carboxamide

SMILES [?]:

c1ccc(c(c1)NC(=O)c2csc(n2)c3cccnc3)Cl

InChi [?]:

InChI=1/C15H10ClN3OS/c16-11-5-1-2-6-12(11)18-14(20)13-9-21-15(19-13)10-4-3-7-17-8-10/h1-9H,(H,18,20)

InChi Info:

AuxInfo=1/1/N:2,1,17,16,3,6,18,20,11,15,4,5,10,8,13,21,19,7,14,9,12/rA:21nCCCCCCNCOCCSCNCCCCNCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s11;s12;s10d13;s13;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₀ClN₃OS
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5352
Area:	503.043
Solvation:	-2.04085
Coulombic:	-34.732

Bond Count [?]

All:	23
Single:	14
Double:	9
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	315.778
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.8
LogP (Chemaxon):	2.7

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