N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine

C16H16N2S2 — CID 114955043

IUPACN-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
SMILESCc1ccncc1CNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C16H16N2S2/c1-12-4-5-17-8-14(12)9-18-10-15-7-13(11-20-15)16-3-2-6-19-16/h2-8,11,18H,9-10H2,1H3
InChIKeyRYAXEQQEEORENS-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.47
Rot. Bonds5

About N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine

N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine (PubChem CID 114955043) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
PubChem CID114955043
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
SMILESCc1ccncc1CNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C16H16N2S2/c1-12-4-5-17-8-14(12)9-18-10-15-7-13(11-20-15)16-3-2-6-19-16/h2-8,11,18H,9-10H2,1H3
InChIKeyRYAXEQQEEORENS-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyridin-3-amine
CID 63329419
1-(4-methyl-3-pyridinyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 114954740
1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 43433741
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
CID 103701941
N-(1H-imidazol-2-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
CID 64546806
(1R)-1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81354936
1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433657
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
CID 114183142
N-[(4-bromothiophen-2-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698668
2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine
CID 114955158
2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 112727524
2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 115763952

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine (CID 114955043) is N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine is Cc1ccncc1CNCc1cc(-c2cccs2)cs1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The InChIKey is RYAXEQQEEORENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-12-4-5-17-8-14(12)9-18-10-15-7-13(11-20-15)16-3-2-6-19-16/h2-8,11,18H,9-10H2,1H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine has a molecular weight of 300.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine is sourced from PubChem (CID 114955043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).