N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide

C17H18FN3O2S — CID 53125051

IUPACN-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(N2CCCC2=O)sc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c1-10(2)14-15(16(23)19-12-7-5-11(18)6-8-12)24-17(20-14)21-9-3-4-13(21)22/h5-8,10H,3-4,9H2,1-2H3,(H,19,23)
InChIKeyOVGFISCHNBUYNI-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.78
Rot. Bonds4

About N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide

N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 53125051) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID53125051
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC NameN-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(N2CCCC2=O)sc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c1-10(2)14-15(16(23)19-12-7-5-11(18)6-8-12)24-17(20-14)21-9-3-4-13(21)22/h5-8,10H,3-4,9H2,1-2H3,(H,19,23)
InChIKeyOVGFISCHNBUYNI-UHFFFAOYSA-N
XLogP3.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide (CID 53125051) is N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide is CC(C)c1nc(N2CCCC2=O)sc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OVGFISCHNBUYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-10(2)14-15(16(23)19-12-7-5-11(18)6-8-12)24-17(20-14)21-9-3-4-13(21)22/h5-8,10H,3-4,9H2,1-2H3,(H,19,23).
What are the key properties of N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53125051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).