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Chemical ID: 5191140

Chemical ID:

5191140

Name [?]:

3-chloro-N-[5-(m-tolylmethyl)thiazol-2-yl]-propanamide

SMILES [?]:

Cc1cccc(c1)Cc2cnc(s2)NC(=O)CCCl

InChi [?]:

InChI=1/C14H15ClN2OS/c1-10-3-2-4-11(7-10)8-12-9-16-14(19-12)17-13(18)5-6-15/h2-4,7,9H,5-6,8H2,1H3,(H,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,4,3,5,17,18,7,8,10,2,6,9,15,12,19,11,14,16,13/rA:19nCCCCCCCCCCNCSNCOCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅ClN₂OS
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	9.51325
Area:	503.971
Solvation:	-3.08602
Coulombic:	-25.7011

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	294.8
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.26
LogP (Chemaxon):	3.55

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