N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide

C18H16FN3O3S — CID 54742336

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c1-11-16(17(25)20-8-6-12-2-4-13(19)5-3-12)26-18(21-11)22-9-7-14(23)10-15(22)24/h2-5,7,9-10,23H,6,8H2,1H3,(H,20,25)
InChIKeyHGWXLMRDZPZHIF-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 54742336) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID54742336
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c1-11-16(17(25)20-8-6-12-2-4-13(19)5-3-12)26-18(21-11)22-9-7-14(23)10-15(22)24/h2-5,7,9-10,23H,6,8H2,1H3,(H,20,25)
InChIKeyHGWXLMRDZPZHIF-UHFFFAOYSA-N
XLogP2.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 54742336) is N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HGWXLMRDZPZHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-11-16(17(25)20-8-6-12-2-4-13(19)5-3-12)26-18(21-11)22-9-7-14(23)10-15(22)24/h2-5,7,9-10,23H,6,8H2,1H3,(H,20,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54742336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).