(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one

C12H10N4O2S — CID 137241669

IUPAC(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C1\NC(=O)CS1
InChIInChI=1S/C12H10N4O2S/c1-7-13-9-5-3-2-4-8(9)11(18)16(7)15-12-14-10(17)6-19-12/h2-5H,6H2,1H3,(H,14,15,17)
InChIKeyRUOXBFBOJMGFDH-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.69
Rot. Bonds1

About (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one

(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one (PubChem CID 137241669) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one
PubChem CID137241669
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C1\NC(=O)CS1
InChIInChI=1S/C12H10N4O2S/c1-7-13-9-5-3-2-4-8(9)11(18)16(7)15-12-14-10(17)6-19-12/h2-5H,6H2,1H3,(H,14,15,17)
InChIKeyRUOXBFBOJMGFDH-UHFFFAOYSA-N
XLogP0.69
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
CID 6009700
2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
CID 4863812
2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one
CID 5125278
ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
CID 13409713
3-[(Z)-[1-acetyl-5-(4-hydroxyphenyl)pyrazolidin-3-ylidene]amino]-2-methylquinazolin-4-one
CID 135440650
3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one
CID 6508433
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
2-methyl-3-pyrrol-1-ylquinazolin-4-one
CID 15619789
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one (CID 137241669) is (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one is Cc1nc2ccccc2c(=O)n1/N=C1\NC(=O)CS1.
What is the InChIKey of (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one?
The InChIKey is RUOXBFBOJMGFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-7-13-9-5-3-2-4-8(9)11(18)16(7)15-12-14-10(17)6-19-12/h2-5H,6H2,1H3,(H,14,15,17).
What are the key properties of (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one?
(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one has a molecular weight of 274.31 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137241669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).