Chemical ID: 6532279

COC(=O)Cc1csc(=N)[nH]1
Chemical ID:
6532279
Name [?]:
methyl 2-(2-imino-3H-thiazol-4-yl)acetate
SMILES [?]:
COC(=O)Cc1csc(=N)[nH]1
InChi [?]:
InChI=1/C6H8N2O2S/c1-10-5(9)2-4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
InChi Info:
AuxInfo=1/1/N:1,5,7,6,3,9,10,11,4,2,8/rA:11nCOCOCCCSCNN/rB:s1;s2;d3;s3;s5;d6;s7;s8;w9;s6s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.5916
Area:333.567
Solvation:-2.74758
Coulombic:-39.7835
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:172.206
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.0
LogP (Chemaxon):0.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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