2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one

C10H9N3OS — CID 1359950

IUPAC2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/SC(=Cc2cccnc2)C(=O)N1C
InChIInChI=1S/C10H9N3OS/c1-13-9(14)8(15-10(13)11)5-7-3-2-4-12-6-7/h2-6,11H,1H3/b8-5?,11-10+
InChIKeyONLBVNQEDRSMMZ-JPZCJOJYSA-N
MW219.27 g/mol
LogP1.56
Rot. Bonds1

About 2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one

2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 1359950) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID1359950
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/SC(=Cc2cccnc2)C(=O)N1C
InChIInChI=1S/C10H9N3OS/c1-13-9(14)8(15-10(13)11)5-7-3-2-4-12-6-7/h2-6,11H,1H3/b8-5?,11-10+
InChIKeyONLBVNQEDRSMMZ-JPZCJOJYSA-N
XLogP1.56
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-ethyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18838800
3-propan-2-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1209892
5-(1,3-benzodioxol-5-ylmethylidene)-2-imino-3-methyl-1,3-thiazolidin-4-one
CID 2860280
(2E,5Z)-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 18845799
(5Z)-2-(3-hydroxyphenyl)imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 27409064
(5Z)-3-amino-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 27409494
(5Z)-3-propan-2-yl-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 117060495
(5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one
CID 154735381
3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1350695
(5Z)-3-(2-methoxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18837247
3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3334762
1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one
CID 964257

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 1359950) is 2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one is [H]/N=C1/SC(=Cc2cccnc2)C(=O)N1C.
What is the InChIKey of 2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is ONLBVNQEDRSMMZ-JPZCJOJYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-13-9(14)8(15-10(13)11)5-7-3-2-4-12-6-7/h2-6,11H,1H3/b8-5?,11-10+.
What are the key properties of 2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 219.27 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1359950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).