N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine

C17H16N2S — CID 61017624

IUPACN-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESc1ccc(-c2csc(CNCc3ccncc3)c2)cc1
InChIInChI=1S/C17H16N2S/c1-2-4-15(5-3-1)16-10-17(20-13-16)12-19-11-14-6-8-18-9-7-14/h1-10,13,19H,11-12H2
InChIKeyHFVMHQFVTBZNSU-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.10
Rot. Bonds5

About N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine

N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 61017624) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID61017624
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC NameN-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESc1ccc(-c2csc(CNCc3ccncc3)c2)cc1
InChIInChI=1S/C17H16N2S/c1-2-4-15(5-3-1)16-10-17(20-13-16)12-19-11-14-6-8-18-9-7-14/h1-10,13,19H,11-12H2
InChIKeyHFVMHQFVTBZNSU-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61350621
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 61019203
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61282967
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79613567
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 103700656
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine (CID 61017624) is N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine is c1ccc(-c2csc(CNCc3ccncc3)c2)cc1.
What is the InChIKey of N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is HFVMHQFVTBZNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-2-4-15(5-3-1)16-10-17(20-13-16)12-19-11-14-6-8-18-9-7-14/h1-10,13,19H,11-12H2.
What are the key properties of N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 280.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 61017624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).