N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine

C13H11NS2 — CID 43687735

IUPACN-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
SMILESc1csc(CNc2ccc3sccc3c2)c1
InChIInChI=1S/C13H11NS2/c1-2-12(15-6-1)9-14-11-3-4-13-10(8-11)5-7-16-13/h1-8,14H,9H2
InChIKeyHBOAHUYFDLGFHL-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.57
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine

N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine (PubChem CID 43687735) has the molecular formula C13H11NS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
PubChem CID43687735
Molecular FormulaC13H11NS2
Molecular Weight245.37 g/mol
Exact Mass245.03
IUPAC NameN-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
SMILESc1csc(CNc2ccc3sccc3c2)c1
InChIInChI=1S/C13H11NS2/c1-2-12(15-6-1)9-14-11-3-4-13-10(8-11)5-7-16-13/h1-8,14H,9H2
InChIKeyHBOAHUYFDLGFHL-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(thiophen-2-ylmethyl)-1-benzothiophen-5-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

N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
4-[(1-benzothiophen-5-ylamino)methyl]phenol
CID 43687694
N-[(2,4,5-trimethylphenyl)methyl]-1-benzothiophen-5-amine
CID 43781960
2-[(1-benzothiophen-5-ylamino)methyl]-3-chlorophenol
CID 114317994
N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43687708
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 65435486
2-[(1-benzothiophen-5-ylamino)methyl]-6-bromophenol
CID 61390955
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-benzothiophen-5-amine
CID 43781993
N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine
CID 77070203
3-[(1-benzothiophen-5-ylamino)methyl]benzoic acid
CID 103252357
N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine
CID 60981068

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine (CID 43687735) is N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine is c1csc(CNc2ccc3sccc3c2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine?
The InChIKey is HBOAHUYFDLGFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS2/c1-2-12(15-6-1)9-14-11-3-4-13-10(8-11)5-7-16-13/h1-8,14H,9H2.
What are the key properties of N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine?
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine has a molecular weight of 245.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 43687735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).