N-pyrimidin-5-ylthiophene-3-carboxamide

C9H7N3OS — CID 91557121

IUPACN-pyrimidin-5-ylthiophene-3-carboxamide
SMILESO=C(Nc1cncnc1)c1ccsc1
InChIInChI=1S/C9H7N3OS/c13-9(7-1-2-14-5-7)12-8-3-10-6-11-4-8/h1-6H,(H,12,13)
InChIKeyPXDCJALZGOFHAA-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.79
Rot. Bonds2

About N-pyrimidin-5-ylthiophene-3-carboxamide

N-pyrimidin-5-ylthiophene-3-carboxamide (PubChem CID 91557121) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is N-pyrimidin-5-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-5-ylthiophene-3-carboxamide
PubChem CID91557121
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC NameN-pyrimidin-5-ylthiophene-3-carboxamide
SMILESO=C(Nc1cncnc1)c1ccsc1
InChIInChI=1S/C9H7N3OS/c13-9(7-1-2-14-5-7)12-8-3-10-6-11-4-8/h1-6H,(H,12,13)
InChIKeyPXDCJALZGOFHAA-UHFFFAOYSA-N
XLogP1.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-pyrimidin-5-ylbenzamide
CID 104862675
N-pyrimidin-5-ylbenzamide
CID 68971843
N-(6-fluoro-3-pyridinyl)thiophene-3-carboxamide
CID 103789756
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
N-(3-carbamoylphenyl)thiophene-3-carboxamide
CID 17015852
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide
CID 24711478
2-methyl-2-[4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 120696625
N-(5-cyano-2-pyridinyl)thiophene-3-carboxamide
CID 55209975
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767
6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868
N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
CID 82862106

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-ylthiophene-3-carboxamide?
The IUPAC name of N-pyrimidin-5-ylthiophene-3-carboxamide (CID 91557121) is N-pyrimidin-5-ylthiophene-3-carboxamide.
What is the SMILES notation for N-pyrimidin-5-ylthiophene-3-carboxamide?
The canonical SMILES for N-pyrimidin-5-ylthiophene-3-carboxamide is O=C(Nc1cncnc1)c1ccsc1.
What is the InChIKey of N-pyrimidin-5-ylthiophene-3-carboxamide?
The InChIKey is PXDCJALZGOFHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c13-9(7-1-2-14-5-7)12-8-3-10-6-11-4-8/h1-6H,(H,12,13).
What are the key properties of N-pyrimidin-5-ylthiophene-3-carboxamide?
N-pyrimidin-5-ylthiophene-3-carboxamide has a molecular weight of 205.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-ylthiophene-3-carboxamide is sourced from PubChem (CID 91557121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).