N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine

C12H14ClNS2 — CID 43432764

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccc(Cl)s1
InChIInChI=1S/C12H14ClNS2/c1-9(7-10-3-2-6-15-10)14-8-11-4-5-12(13)16-11/h2-6,9,14H,7-8H2,1H3
InChIKeyLWYMTQIDBRHJMY-UHFFFAOYSA-N
MW271.84 g/mol
LogP4.18
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43432764) has the molecular formula C12H14ClNS2 and a molecular weight of 271.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43432764
Molecular FormulaC12H14ClNS2
Molecular Weight271.84 g/mol
Exact Mass271.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccc(Cl)s1
InChIInChI=1S/C12H14ClNS2/c1-9(7-10-3-2-6-15-10)14-8-11-4-5-12(13)16-11/h2-6,9,14H,7-8H2,1H3
InChIKeyLWYMTQIDBRHJMY-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine 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-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432724
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 54962828
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 119131184
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432807

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 43432764) is N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is LWYMTQIDBRHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS2/c1-9(7-10-3-2-6-15-10)14-8-11-4-5-12(13)16-11/h2-6,9,14H,7-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 271.84 g/mol, XLogP of 4.18, 5 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)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43432764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).