N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride

C12H15ClN2S — CID 2975334

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
SMILESCc1ccc(CNCc2cccnc2)s1.Cl
InChIInChI=1S/C12H14N2S.ClH/c1-10-4-5-12(15-10)9-14-8-11-3-2-6-13-7-11;/h2-7,14H,8-9H2,1H3;1H
InChIKeyOAEKRHWFLALFBZ-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.16
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride

N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride (PubChem CID 2975334) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
PubChem CID2975334
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
SMILESCc1ccc(CNCc2cccnc2)s1.Cl
InChIInChI=1S/C12H14N2S.ClH/c1-10-4-5-12(15-10)9-14-8-11-3-2-6-13-7-11;/h2-7,14H,8-9H2,1H3;1H
InChIKeyOAEKRHWFLALFBZ-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.16
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-3-ylmethanamine;hydrochloride?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride (CID 2975334) is N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride is Cc1ccc(CNCc2cccnc2)s1.Cl.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
The InChIKey is OAEKRHWFLALFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.ClH/c1-10-4-5-12(15-10)9-14-8-11-3-2-6-13-7-11;/h2-7,14H,8-9H2,1H3;1H.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride has a molecular weight of 254.79 g/mol, XLogP of 3.16, 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-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 2975334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).