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Chemical ID: 6356362
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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