1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine

C14H11ClN2S — CID 65476209

IUPAC1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine
SMILESNc1cc(Cl)ccc1Nc1ccc2sccc2c1
InChIInChI=1S/C14H11ClN2S/c15-10-1-3-13(12(16)8-10)17-11-2-4-14-9(7-11)5-6-18-14/h1-8,17H,16H2
InChIKeyPOZAGNBIHSPVPD-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.88
Rot. Bonds2

About 1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine

1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine (PubChem CID 65476209) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine
PubChem CID65476209
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine
SMILESNc1cc(Cl)ccc1Nc1ccc2sccc2c1
InChIInChI=1S/C14H11ClN2S/c15-10-1-3-13(12(16)8-10)17-11-2-4-14-9(7-11)5-6-18-14/h1-8,17H,16H2
InChIKeyPOZAGNBIHSPVPD-UHFFFAOYSA-N
XLogP4.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.88
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-N-(1-benzothiophen-5-yl)benzene-1,2-diamine
CID 65475625
2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile
CID 65475337
1-N-(1-benzothiophen-5-yl)-2-bromobenzene-1,4-diamine
CID 65474847
2-amino-6-(1-benzothiophen-5-ylamino)-3-fluorobenzoic acid
CID 83206087
4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile
CID 65474945
1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259351
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 65453599
2-amino-4-(1-benzothiophen-5-ylamino)benzoic acid
CID 104500715
4-chloro-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 62808962
4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
4-chloro-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 29067463

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine?
The IUPAC name of 1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine (CID 65476209) is 1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine is Nc1cc(Cl)ccc1Nc1ccc2sccc2c1.
What is the InChIKey of 1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine?
The InChIKey is POZAGNBIHSPVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-10-1-3-13(12(16)8-10)17-11-2-4-14-9(7-11)5-6-18-14/h1-8,17H,16H2.
What are the key properties of 1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine?
1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine has a molecular weight of 274.78 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine is sourced from PubChem (CID 65476209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).