5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide

C13H12N4OS — CID 79990310

IUPAC5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cnccn2)sc1C#CCN
InChIInChI=1S/C13H12N4OS/c1-9-7-11(19-10(9)3-2-4-14)13(18)17-12-8-15-5-6-16-12/h5-8H,4,14H2,1H3,(H,16,17,18)
InChIKeyBCFHKNMNRZDJFD-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.41
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide (PubChem CID 79990310) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide
PubChem CID79990310
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cnccn2)sc1C#CCN
InChIInChI=1S/C13H12N4OS/c1-9-7-11(19-10(9)3-2-4-14)13(18)17-12-8-15-5-6-16-12/h5-8H,4,14H2,1H3,(H,16,17,18)
InChIKeyBCFHKNMNRZDJFD-UHFFFAOYSA-N
XLogP1.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106826
5-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106919
5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18107039
N-(4-methylpyridin-2-yl)thiophene-2-carboxamide
CID 685128
N-2-pyrazinyl-2-thiophenecarboxamide
CID 1245526
N-(Pyrazin-2-yl)benzo[b]thiophene-3-carboxamide
CID 1247749
N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 17410315
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]thiophene-2-carboxamide
CID 1452776
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33112393
(E)-2-phenyl-N-(pyrazin-2-yl)-3-(thiophen-2-yl)acrylamide
CID 44568124
4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide
CID 45827553

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide (CID 79990310) is 5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cnccn2)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide?
The InChIKey is BCFHKNMNRZDJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-9-7-11(19-10(9)3-2-4-14)13(18)17-12-8-15-5-6-16-12/h5-8H,4,14H2,1H3,(H,16,17,18).
What are the key properties of 5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 79990310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).