2-(1-benzothiophen-2-yl)benzene-1,3-diamine

C14H12N2S — CID 102202625

IUPAC2-(1-benzothiophen-2-yl)benzene-1,3-diamine
SMILESNc1cccc(N)c1-c1cc2ccccc2s1
InChIInChI=1S/C14H12N2S/c15-10-5-3-6-11(16)14(10)13-8-9-4-1-2-7-12(9)17-13/h1-8H,15-16H2
InChIKeyDGUMVFMMJSOQNF-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.73
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)benzene-1,3-diamine

2-(1-benzothiophen-2-yl)benzene-1,3-diamine (PubChem CID 102202625) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)benzene-1,3-diamine
PubChem CID102202625
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-(1-benzothiophen-2-yl)benzene-1,3-diamine
SMILESNc1cccc(N)c1-c1cc2ccccc2s1
InChIInChI=1S/C14H12N2S/c15-10-5-3-6-11(16)14(10)13-8-9-4-1-2-7-12(9)17-13/h1-8H,15-16H2
InChIKeyDGUMVFMMJSOQNF-UHFFFAOYSA-N
XLogP3.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264
2-[13-(1-benzothiophen-2-yl)pentacen-6-yl]-1-benzothiophene
CID 86041165
2-(1-benzothiophen-2-yl)-1H-benzimidazol-4-amine
CID 63692785
5-(1-benzothiophen-2-yl)-6-chloropyrimidine-2,4-diamine
CID 91186613
5,20-bis(1-benzothiophen-2-yl)-3,7,18,22-tetrazaundecacyclo[22.6.6.69,16.02,23.04,21.06,19.08,17.010,15.025,30.031,36.037,42]dotetraconta-2,4,6(19),7,10,12,14,17,20,22,25,27,29,31,33,35,37,39,41-nonadecaene
CID 135033998
CID 59413459
CID 59413459
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
1-benzothiophen-2-amine;hydrochloride
CID 66906726
2-(1-benzothiophen-2-yl)-5-methoxyaniline
CID 24827981
3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 61406979
2-[7-(1-benzothiophen-2-yl)benzo[a]anthracen-12-yl]-1-benzothiophene
CID 59601091

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)benzene-1,3-diamine?
The IUPAC name of 2-(1-benzothiophen-2-yl)benzene-1,3-diamine (CID 102202625) is 2-(1-benzothiophen-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)benzene-1,3-diamine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)benzene-1,3-diamine is Nc1cccc(N)c1-c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)benzene-1,3-diamine?
The InChIKey is DGUMVFMMJSOQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-10-5-3-6-11(16)14(10)13-8-9-4-1-2-7-12(9)17-13/h1-8H,15-16H2.
What are the key properties of 2-(1-benzothiophen-2-yl)benzene-1,3-diamine?
2-(1-benzothiophen-2-yl)benzene-1,3-diamine has a molecular weight of 240.33 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 102202625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).