2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C15H11ClN4O2S — CID 108799405

IUPAC2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cnc(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)s1
InChIInChI=1S/C15H11ClN4O2S/c1-8-6-18-15(23-8)20-14(22)11-7-17-12(19-13(11)21)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyTZNGEUSQPCSIRD-UHFFFAOYSA-N
MW346.80 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108799405) has the molecular formula C15H11ClN4O2S and a molecular weight of 346.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID108799405
Molecular FormulaC15H11ClN4O2S
Molecular Weight346.80 g/mol
Exact Mass346.03
IUPAC Name2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cnc(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)s1
InChIInChI=1S/C15H11ClN4O2S/c1-8-6-18-15(23-8)20-14(22)11-7-17-12(19-13(11)21)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyTZNGEUSQPCSIRD-UHFFFAOYSA-N
XLogP3.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799350
2-(4-chlorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrimidine-5-carboxamide
CID 108799351
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799334
N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786335
N-(4-bromo-2-methylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799250
2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
CID 108799261
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151
2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786296
2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809636
2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799328
2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809663
4-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-3-hydroxybenzoic acid
CID 108799385

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 108799405) is 2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1cnc(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)s1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is TZNGEUSQPCSIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2S/c1-8-6-18-15(23-8)20-14(22)11-7-17-12(19-13(11)21)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 346.80 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108799405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).