1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine

C11H12N2S — CID 964916

IUPAC1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNCc2ccncc2)c1
InChIInChI=1S/C11H12N2S/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h1-7,13H,8-9H2
InChIKeyFQIVJKQSUFZNMO-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.43
Rot. Bonds4

About 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine

1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 964916) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine
PubChem CID964916
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNCc2ccncc2)c1
InChIInChI=1S/C11H12N2S/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h1-7,13H,8-9H2
InChIKeyFQIVJKQSUFZNMO-UHFFFAOYSA-N
XLogP2.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine (CID 964916) is 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine is c1csc(CNCc2ccncc2)c1.
What is the InChIKey of 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is FQIVJKQSUFZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h1-7,13H,8-9H2.
What are the key properties of 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine?
1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 204.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 964916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).