Chemical ID: 3994406

COC(=O)Cc1csc(n1)N
Chemical ID:
3994406
Name [?]:
methyl 2-(2-aminothiazol-4-yl)acetate
SMILES [?]:
COC(=O)Cc1csc(n1)N
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:1,5,7,6,3,9,11,10,4,2,8/rA:11nCOCOCCCSCNN/rB:s1;s2;d3;s3;s5;d6;s7;s8;s6d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.43092
Area:331.764
Solvation:-2.86317
Coulombic:-38.3439
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.206
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.15
LogP (Chemaxon):0.58

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Descriptor Annotations

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