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Chemical ID: 3993433

Chemical ID:

3993433

Name [?]:

2-chloro-N-[4-(4-sec-butylphenyl)thiazol-2-yl]-acetamide

SMILES [?]:

CCC(C)c1ccc(cc1)c2csc(n2)NC(=O)CCl

InChi [?]:

InChI=1/C15H17ClN2OS/c1-3-10(2)11-4-6-12(7-5-11)13-9-20-15(17-13)18-14(19)8-16/h4-7,9-10H,3,8H2,1-2H3,(H,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,4,2,6,10,7,9,19,12,3,5,8,11,17,14,20,15,16,18,13/E:(4,5)(6,7)/rA:20cCCCCCCCCCCCCSCNNCOCCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇ClN₂OS
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	9.94586
Area:	518.722
Solvation:	-3.0222
Coulombic:	-27.4252

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	308.827
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.32
LogP (Chemaxon):	4.9

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