N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine

C11H12ClNS2 — CID 43491982

IUPACN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClNS2/c1-2-13-11(8-4-3-7-14-8)9-5-6-10(12)15-9/h3-7,11,13H,2H2,1H3
InChIKeyTXADKLUVDBDHFR-UHFFFAOYSA-N
MW257.81 g/mol
LogP4.16
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 43491982) has the molecular formula C11H12ClNS2 and a molecular weight of 257.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
PubChem CID43491982
Molecular FormulaC11H12ClNS2
Molecular Weight257.81 g/mol
Exact Mass257.01
IUPAC NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClNS2/c1-2-13-11(8-4-3-7-14-8)9-5-6-10(12)15-9/h3-7,11,13H,2H2,1H3
InChIKeyTXADKLUVDBDHFR-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)-thiophen-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

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-3-ethoxypropan-1-amine
CID 43765306
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
CID 43767499
1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 62323529
1-(5-chlorothiophen-2-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 106301944
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine
CID 115517345
1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106895048
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81128008
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine
CID 106226083
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine (CID 43491982) is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1cccs1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is TXADKLUVDBDHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS2/c1-2-13-11(8-4-3-7-14-8)9-5-6-10(12)15-9/h3-7,11,13H,2H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine?
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 257.81 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 43491982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).