N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide

C10H9N3O2S — CID 102304766

IUPACN-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide
SMILESCn1ccc(NC(=O)c2cccs2)nc1=O
InChIInChI=1S/C10H9N3O2S/c1-13-5-4-8(12-10(13)15)11-9(14)7-3-2-6-16-7/h2-6H,1H3,(H,11,12,14,15)
InChIKeyHLIPWZBOLTUTJI-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.09
Rot. Bonds2

About N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide

N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide (PubChem CID 102304766) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide
PubChem CID102304766
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide
SMILESCn1ccc(NC(=O)c2cccs2)nc1=O
InChIInChI=1S/C10H9N3O2S/c1-13-5-4-8(12-10(13)15)11-9(14)7-3-2-6-16-7/h2-6H,1H3,(H,11,12,14,15)
InChIKeyHLIPWZBOLTUTJI-UHFFFAOYSA-N
XLogP1.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-phenyl-2-pyridinyl)thiophene-2-carboxamide
CID 110482191
N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 17013680
N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 45351737
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]thiophene-2-carboxamide
CID 11050513
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
N-(5-chloropyrazin-2-yl)thiophene-2-carboxamide
CID 104964135
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324
2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 16915451
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3336196
N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 53268944

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide (CID 102304766) is N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide is Cn1ccc(NC(=O)c2cccs2)nc1=O.
What is the InChIKey of N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide?
The InChIKey is HLIPWZBOLTUTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-13-5-4-8(12-10(13)15)11-9(14)7-3-2-6-16-7/h2-6H,1H3,(H,11,12,14,15).
What are the key properties of N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide?
N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxopyrimidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 102304766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).