N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine

C12H14N2S — CID 4720462

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1ccc(CNCc2ccccn2)s1
InChIInChI=1S/C12H14N2S/c1-10-5-6-12(15-10)9-13-8-11-4-2-3-7-14-11/h2-7,13H,8-9H2,1H3
InChIKeyWBEAQJYXVNBGDI-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.74
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine

N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 4720462) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID4720462
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1ccc(CNCc2ccccn2)s1
InChIInChI=1S/C12H14N2S/c1-10-5-6-12(15-10)9-13-8-11-4-2-3-7-14-11/h2-7,13H,8-9H2,1H3
InChIKeyWBEAQJYXVNBGDI-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine (CID 4720462) is N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine is Cc1ccc(CNCc2ccccn2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is WBEAQJYXVNBGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-10-5-6-12(15-10)9-13-8-11-4-2-3-7-14-11/h2-7,13H,8-9H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 218.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 4720462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).