Chemical ID: 4258492

COc1cccc(c1)C=C2C(=O)N=C(S2)N
Chemical ID:
4258492
Name [?]:
2-amino-5-[(3-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1cccc(c1)C=C2C(=O)N=C(S2)N
InChi [?]:
InChI=1/C11H10N2O2S/c1-15-8-4-2-3-7(5-8)6-9-10(14)13-11(12)16-9/h2-6H,1H3,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,9,7,3,10,11,14,16,13,12,2,15/rA:16nCOCCCCCCCCCONCSN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;d13;s10s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.04574
Area:398.122
Solvation:-2.9073
Coulombic:-40.9853
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:234.275
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.24
LogP (Chemaxon):1.72

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