Chemical ID: 4188141

CN1C(=O)C(=Cc2cccnc2)SC1=N
Chemical ID:
4188141
Name [?]:
2-imino-3-methyl-5-(3-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2cccnc2)SC1=N
InChi [?]:
InChI=1/C10H9N3OS/c1-13-9(14)8(15-10(13)11)5-7-3-2-4-12-6-7/h2-6,11H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,6,12,7,5,3,14,15,11,2,4,13/rA:15nCNCOCCCCCCNCSCN/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s5;s2s13;w14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N3OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.78569
Area:376.509
Solvation:-2.62704
Coulombic:-33.5752
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:2
Rigid Segments:2
Chemical Properties
Molecular Weight:219.264
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.73
LogP (Chemaxon):0.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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