1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine

C12H13ClN2S — CID 102976235

IUPAC1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(NCc1ccccn1)c1csc(Cl)c1
InChIInChI=1S/C12H13ClN2S/c1-9(10-6-12(13)16-8-10)15-7-11-4-2-3-5-14-11/h2-6,8-9,15H,7H2,1H3
InChIKeyFADUOPJUYYCSBZ-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.65
Rot. Bonds4

About 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine

1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 102976235) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID102976235
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(NCc1ccccn1)c1csc(Cl)c1
InChIInChI=1S/C12H13ClN2S/c1-9(10-6-12(13)16-8-10)15-7-11-4-2-3-5-14-11/h2-6,8-9,15H,7H2,1H3
InChIKeyFADUOPJUYYCSBZ-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 114082779
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 102976657
N-[(2-bromophenyl)methyl]-1-(5-chlorothiophen-3-yl)ethanamine
CID 102976521
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 102976218
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 102976235) is 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine is CC(NCc1ccccn1)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is FADUOPJUYYCSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-9(10-6-12(13)16-8-10)15-7-11-4-2-3-5-14-11/h2-6,8-9,15H,7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine?
1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 252.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 102976235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).