N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide

C13H14FN3O2S — CID 58166502

IUPACN-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)Cn1cc(F)c(NC(=O)c2cccs2)nc1=O
InChIInChI=1S/C13H14FN3O2S/c1-8(2)6-17-7-9(14)11(16-13(17)19)15-12(18)10-4-3-5-20-10/h3-5,7-8H,6H2,1-2H3,(H,15,16,18,19)
InChIKeyGQJSISJZIHGOGW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.35
Rot. Bonds4

About N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide

N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 58166502) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide
PubChem CID58166502
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)Cn1cc(F)c(NC(=O)c2cccs2)nc1=O
InChIInChI=1S/C13H14FN3O2S/c1-8(2)6-17-7-9(14)11(16-13(17)19)15-12(18)10-4-3-5-20-10/h3-5,7-8H,6H2,1-2H3,(H,15,16,18,19)
InChIKeyGQJSISJZIHGOGW-UHFFFAOYSA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-fluoro-1-(oxolan-2-ylmethyl)pyrimidin-2-one;N-[5-fluoro-2-oxo-1-(oxolan-2-ylmethyl)pyrimidin-4-yl]thiophene-2-carboxamide;thiophene-2-carboxylic acid
CID 159693548
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide
CID 102304766
N-[(4S)-1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 7013806
N-[4-acetamido-2-(3-methylbutylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide
CID 135701371
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31516052
N-[4-acetamido-2-[(2R)-butan-2-yl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide
CID 135701367
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide
CID 6499833
N-[(2R)-butan-2-yl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999172
N-butan-2-yl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 56686277
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide (CID 58166502) is N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide is CC(C)Cn1cc(F)c(NC(=O)c2cccs2)nc1=O.
What is the InChIKey of N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide?
The InChIKey is GQJSISJZIHGOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8(2)6-17-7-9(14)11(16-13(17)19)15-12(18)10-4-3-5-20-10/h3-5,7-8H,6H2,1-2H3,(H,15,16,18,19).
What are the key properties of N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide?
N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-(2-methylpropyl)-2-oxopyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58166502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).