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Chemical ID: 4188141
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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