[5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine

C11H12N2S — CID 66279048

IUPAC[5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine
SMILESCc1cnccc1-c1ccc(CN)s1
InChIInChI=1S/C11H12N2S/c1-8-7-13-5-4-10(8)11-3-2-9(6-12)14-11/h2-5,7H,6,12H2,1H3
InChIKeyGXNFGGJCKCEHEH-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.58
Rot. Bonds2

About [5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine

[5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine (PubChem CID 66279048) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is [5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine
PubChem CID66279048
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name[5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine
SMILESCc1cnccc1-c1ccc(CN)s1
InChIInChI=1S/C11H12N2S/c1-8-7-13-5-4-10(8)11-3-2-9(6-12)14-11/h2-5,7H,6,12H2,1H3
InChIKeyGXNFGGJCKCEHEH-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine (CID 66279048) is [5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine is Cc1cnccc1-c1ccc(CN)s1.
What is the InChIKey of [5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine?
The InChIKey is GXNFGGJCKCEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-7-13-5-4-10(8)11-3-2-9(6-12)14-11/h2-5,7H,6,12H2,1H3.
What are the key properties of [5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine?
[5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine has a molecular weight of 204.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 66279048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).