Chemical ID: 6356362

CCOC(=O)c1c(nc(s1)NC(=O)CCCl)C
Chemical ID:
6356362
Name [?]:
ethyl 2-(3-chloropropanoylamino)-4-methyl-thiazole-5-carboxylate
SMILES [?]:
CCOC(=O)c1c(nc(s1)NC(=O)CCCl)C
InChi [?]:
InChI=1/C10H13ClN2O3S/c1-3-16-9(15)8-6(2)12-10(17-8)13-7(14)4-5-11/h3-5H2,1-2H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,17,2,14,15,7,12,6,4,9,16,8,11,13,5,3,10/rA:17nCCOCOCCNCSNCOCCClC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;s11;d12;s12;s14;s15;s7;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13ClN2O3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.97717
Area:471.812
Solvation:-2.81814
Coulombic:-44.4762
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.741
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.94
LogP (Chemaxon):1.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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