2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine

C14H12N2S — CID 65475625

IUPAC2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccc2sccc2c1
InChIInChI=1S/C14H12N2S/c15-12-3-1-2-4-13(12)16-11-5-6-14-10(9-11)7-8-17-14/h1-9,16H,15H2
InChIKeySXGQCQVDORVFSN-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.23
Rot. Bonds2

About 2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine

2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine (PubChem CID 65475625) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine
PubChem CID65475625
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccc2sccc2c1
InChIInChI=1S/C14H12N2S/c15-12-3-1-2-4-13(12)16-11-5-6-14-10(9-11)7-8-17-14/h1-9,16H,15H2
InChIKeySXGQCQVDORVFSN-UHFFFAOYSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.23
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

1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine
CID 65476209
1-N-(1-benzothiophen-5-yl)-2-bromobenzene-1,4-diamine
CID 65474847
methyl 2-amino-3-(1-benzothiophen-5-ylamino)benzoate
CID 115546387
1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259351
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
2-amino-4-(1-benzothiophen-5-ylamino)benzoic acid
CID 104500715
2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
CID 79175673
2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
CID 65475431
2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437072
2-amino-6-(1-benzothiophen-5-ylamino)-3-fluorobenzoic acid
CID 83206087
N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 65453599
2-N-[3-chloro-4-[(3-chlorothiophen-2-yl)-nitrosomethyl]phenyl]benzene-1,2-diamine
CID 91231301

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine (CID 65475625) is 2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine is Nc1ccccc1Nc1ccc2sccc2c1.
What is the InChIKey of 2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine?
The InChIKey is SXGQCQVDORVFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-12-3-1-2-4-13(12)16-11-5-6-14-10(9-11)7-8-17-14/h1-9,16H,15H2.
What are the key properties of 2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine?
2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine has a molecular weight of 240.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 65475625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).