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

C18H18N4O2S — CID 90384979

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(-c2csc(C)n2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H18N4O2S/c1-3-14(12-7-5-4-6-8-12)21-17(23)13-9-19-16(22-18(13)24)15-10-25-11(2)20-15/h4-10,14H,3H2,1-2H3,(H,21,23)(H,19,22,24)
InChIKeyLYKXONPRTNBXNC-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.08
Rot. Bonds5

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

2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide (PubChem CID 90384979) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
PubChem CID90384979
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(-c2csc(C)n2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H18N4O2S/c1-3-14(12-7-5-4-6-8-12)21-17(23)13-9-19-16(22-18(13)24)15-10-25-11(2)20-15/h4-10,14H,3H2,1-2H3,(H,21,23)(H,19,22,24)
InChIKeyLYKXONPRTNBXNC-UHFFFAOYSA-N
XLogP3.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72912876
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72915421
N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72891553
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72898651
2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97137147
2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809636
6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide
CID 72869433
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide
CID 97153313
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72873740
4-amino-6-methyl-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 81241004
2,4-dioxo-7-phenyl-N-(1-phenylpropyl)-1H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 10597112
ethyl 3-[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidin-2-yl]-1,2-oxazole-5-carboxylate
CID 89470833

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide (CID 90384979) is 2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide is CCC(NC(=O)c1cnc(-c2csc(C)n2)[nH]c1=O)c1ccccc1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is LYKXONPRTNBXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-3-14(12-7-5-4-6-8-12)21-17(23)13-9-19-16(22-18(13)24)15-10-25-11(2)20-15/h4-10,14H,3H2,1-2H3,(H,21,23)(H,19,22,24).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide?
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90384979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).