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

C24H15ClN4O2S — CID 108786296

IUPAC2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C24H15ClN4O2S/c25-18-9-7-15(8-10-18)21-26-12-19(22(30)28-21)23(31)29-24-27-20(13-32-24)17-6-5-14-3-1-2-4-16(14)11-17/h1-13H,(H,26,28,30)(H,27,29,31)
InChIKeyAGVMQTXMMOFUGS-UHFFFAOYSA-N
MW458.93 g/mol
LogP5.62
Rot. Bonds4

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

2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108786296) has the molecular formula C24H15ClN4O2S and a molecular weight of 458.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID108786296
Molecular FormulaC24H15ClN4O2S
Molecular Weight458.93 g/mol
Exact Mass458.06
IUPAC Name2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C24H15ClN4O2S/c25-18-9-7-15(8-10-18)21-26-12-19(22(30)28-21)23(31)29-24-27-20(13-32-24)17-6-5-14-3-1-2-4-16(14)11-17/h1-13H,(H,26,28,30)(H,27,29,31)
InChIKeyAGVMQTXMMOFUGS-UHFFFAOYSA-N
XLogP5.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.93
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 4670765
2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809663
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799405
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 21235330
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
2-(4-chlorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrimidine-5-carboxamide
CID 108799351
2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799350
2-(dimethylamino)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 38905414

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 108786296) is 2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is AGVMQTXMMOFUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN4O2S/c25-18-9-7-15(8-10-18)21-26-12-19(22(30)28-21)23(31)29-24-27-20(13-32-24)17-6-5-14-3-1-2-4-16(14)11-17/h1-13H,(H,26,28,30)(H,27,29,31).
What are the key properties of 2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 458.93 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108786296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).