(1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine

C16H15ClN2S2 — CID 81391932

IUPAC(1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NC(c1cccs1)c1ccc(Cl)s1)c1cccnc1
InChIInChI=1S/C16H15ClN2S2/c1-11(12-4-2-8-18-10-12)19-16(13-5-3-9-20-13)14-6-7-15(17)21-14/h2-11,16,19H,1H3/t11-,16?/m0/s1
InChIKeyUDJCUAAGWHTPOX-CHPOKUKFSA-N
MW334.90 g/mol
LogP5.30
Rot. Bonds5

About (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine

(1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine (PubChem CID 81391932) has the molecular formula C16H15ClN2S2 and a molecular weight of 334.90 g/mol. Its IUPAC name is (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine
PubChem CID81391932
Molecular FormulaC16H15ClN2S2
Molecular Weight334.90 g/mol
Exact Mass334.04
IUPAC Name(1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NC(c1cccs1)c1ccc(Cl)s1)c1cccnc1
InChIInChI=1S/C16H15ClN2S2/c1-11(12-4-2-8-18-10-12)19-16(13-5-3-9-20-13)14-6-7-15(17)21-14/h2-11,16,19H,1H3/t11-,16?/m0/s1
InChIKeyUDJCUAAGWHTPOX-CHPOKUKFSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.90
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine 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

2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine
CID 113466404
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 28655921
N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 43181722
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
cumene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 158523249
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106895048
(1S)-N-[phenyl(pyridin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81388446
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine
CID 106226083

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine (CID 81391932) is (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine is C[C@H](NC(c1cccs1)c1ccc(Cl)s1)c1cccnc1.
What is the InChIKey of (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine?
The InChIKey is UDJCUAAGWHTPOX-CHPOKUKFSA-N. The full InChI is InChI=1S/C16H15ClN2S2/c1-11(12-4-2-8-18-10-12)19-16(13-5-3-9-20-13)14-6-7-15(17)21-14/h2-11,16,19H,1H3/t11-,16?/m0/s1.
What are the key properties of (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine?
(1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine has a molecular weight of 334.90 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81391932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).