3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide

C11H11N3OS — CID 61093920

IUPAC3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2N)nc1
InChIInChI=1S/C11H11N3OS/c1-7-2-3-9(13-6-7)14-11(15)10-8(12)4-5-16-10/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyOQMZXVCNAXKADF-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.29
Rot. Bonds2

About 3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide

3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 61093920) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID61093920
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2N)nc1
InChIInChI=1S/C11H11N3OS/c1-7-2-3-9(13-6-7)14-11(15)10-8(12)4-5-16-10/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyOQMZXVCNAXKADF-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 61093920) is 3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2N)nc1.
What is the InChIKey of 3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is OQMZXVCNAXKADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-2-3-9(13-6-7)14-11(15)10-8(12)4-5-16-10/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of 3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 61093920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).