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Chemical ID: 3991547

Chemical ID:

3991547

Name [?]:

2-chloro-N-[4-(p-tolyl)thiazol-2-yl]-acetamide

SMILES [?]:

Cc1ccc(cc1)c2csc(n2)NC(=O)CCl

InChi [?]:

InChI=1/C12H11ClN2OS/c1-8-2-4-9(5-3-8)10-7-17-12(14-10)15-11(16)6-13/h2-5,7H,6H2,1H3,(H,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,16,9,2,5,8,14,11,17,12,13,15,10/E:(2,3)(4,5)/rA:17nCCCCCCCCCSCNNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₁ClN₂OS
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.22252
Area:	450.151
Solvation:	-3.03127
Coulombic:	-26.4305

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	266.747
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.79
LogP (Chemaxon):	3.77

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