2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide

C15H13N5O2S2 — CID 136834745

IUPAC2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
SMILESCSCc1nc(C(=O)Nc2nc(-c3ccccn3)cs2)cc(=O)[nH]1
InChIInChI=1S/C15H13N5O2S2/c1-23-8-12-17-10(6-13(21)19-12)14(22)20-15-18-11(7-24-15)9-4-2-3-5-16-9/h2-7H,8H2,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyLGEZTGCCFHLAGG-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.40
Rot. Bonds5

About 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide

2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide (PubChem CID 136834745) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
PubChem CID136834745
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC Name2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
SMILESCSCc1nc(C(=O)Nc2nc(-c3ccccn3)cs2)cc(=O)[nH]1
InChIInChI=1S/C15H13N5O2S2/c1-23-8-12-17-10(6-13(21)19-12)14(22)20-15-18-11(7-24-15)9-4-2-3-5-16-9/h2-7H,8H2,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyLGEZTGCCFHLAGG-UHFFFAOYSA-N
XLogP2.40
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-(methylsulfanylmethyl)-6-oxo-N-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136705864
2-(methylsulfanylmethyl)-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide
CID 136834654
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
N-(2-acetylphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834764
N-(5-hydroxynaphthalen-1-yl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705736
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 46978556
5-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2354167
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
2-(methylsulfanylmethyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-4-carboxamide
CID 136834600
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide (CID 136834745) is 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide is CSCc1nc(C(=O)Nc2nc(-c3ccccn3)cs2)cc(=O)[nH]1.
What is the InChIKey of 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
The InChIKey is LGEZTGCCFHLAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c1-23-8-12-17-10(6-13(21)19-12)14(22)20-15-18-11(7-24-15)9-4-2-3-5-16-9/h2-7H,8H2,1H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide has a molecular weight of 359.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136834745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).