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Chemical ID: 4775707

Chemical ID:

4775707

Name [?]:

N-[[4-(4-chlorophenyl)thiazol-2-yl]thiocarbamoyl]cyclopropanecarboxamide

SMILES [?]:

c1cc(ccc1c2csc(n2)NC(=S)NC(=O)C3CC3)Cl

InChi [?]:

InChI=1/C14H12ClN3OS2/c15-10-5-3-8(4-6-10)11-7-21-14(16-11)18-13(20)17-12(19)9-1-2-9/h3-7,9H,1-2H2,(H2,16,17,18,19,20)

InChi Info:

AuxInfo=1/1/N:19,20,1,5,2,4,8,6,18,3,7,16,13,10,21,11,15,12,17,14,9/E:(1,2)(3,4)(5,6)/rA:21nCCCCCCCCSCNNCSNCOCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;d16;s16;s18;s18s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂ClN₃OS₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.521
Area:	528.245
Solvation:	-2.68511
Coulombic:	-39.1748

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	337.849
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.39
LogP (Chemaxon):	4.38

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