N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide

C15H11FN4O3S — CID 135446351

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(-c2nccs2)[nH]c(=O)c1O
InChIInChI=1S/C15H11FN4O3S/c16-9-3-1-8(2-4-9)7-18-13(22)10-11(21)14(23)20-12(19-10)15-17-5-6-24-15/h1-6,21H,7H2,(H,18,22)(H,19,20,23)
InChIKeyRCDJRYBGIPBIKX-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.67
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide (PubChem CID 135446351) has the molecular formula C15H11FN4O3S and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
PubChem CID135446351
Molecular FormulaC15H11FN4O3S
Molecular Weight346.34 g/mol
Exact Mass346.05
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(-c2nccs2)[nH]c(=O)c1O
InChIInChI=1S/C15H11FN4O3S/c16-9-3-1-8(2-4-9)7-18-13(22)10-11(21)14(23)20-12(19-10)15-17-5-6-24-15/h1-6,21H,7H2,(H,18,22)(H,19,20,23)
InChIKeyRCDJRYBGIPBIKX-UHFFFAOYSA-N
XLogP1.67
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide (CID 135446351) is N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(-c2nccs2)[nH]c(=O)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
The InChIKey is RCDJRYBGIPBIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O3S/c16-9-3-1-8(2-4-9)7-18-13(22)10-11(21)14(23)20-12(19-10)15-17-5-6-24-15/h1-6,21H,7H2,(H,18,22)(H,19,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).