4-(1-benzothiophen-2-ylamino)benzonitrile

C15H10N2S — CID 168873123

IUPAC4-(1-benzothiophen-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2cc3ccccc3s2)cc1
InChIInChI=1S/C15H10N2S/c16-10-11-5-7-13(8-6-11)17-15-9-12-3-1-2-4-14(12)18-15/h1-9,17H
InChIKeyPODJIKHAYYRUKZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.52
Rot. Bonds2

About 4-(1-benzothiophen-2-ylamino)benzonitrile

4-(1-benzothiophen-2-ylamino)benzonitrile (PubChem CID 168873123) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-ylamino)benzonitrile.

Molecular Properties

Compound Name4-(1-benzothiophen-2-ylamino)benzonitrile
PubChem CID168873123
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Name4-(1-benzothiophen-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2cc3ccccc3s2)cc1
InChIInChI=1S/C15H10N2S/c16-10-11-5-7-13(8-6-11)17-15-9-12-3-1-2-4-14(12)18-15/h1-9,17H
InChIKeyPODJIKHAYYRUKZ-UHFFFAOYSA-N
XLogP4.52
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzothiophen-2-ylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-ylamino)benzonitrile?
The IUPAC name of 4-(1-benzothiophen-2-ylamino)benzonitrile (CID 168873123) is 4-(1-benzothiophen-2-ylamino)benzonitrile.
What is the SMILES notation for 4-(1-benzothiophen-2-ylamino)benzonitrile?
The canonical SMILES for 4-(1-benzothiophen-2-ylamino)benzonitrile is N#Cc1ccc(Nc2cc3ccccc3s2)cc1.
What is the InChIKey of 4-(1-benzothiophen-2-ylamino)benzonitrile?
The InChIKey is PODJIKHAYYRUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c16-10-11-5-7-13(8-6-11)17-15-9-12-3-1-2-4-14(12)18-15/h1-9,17H.
What are the key properties of 4-(1-benzothiophen-2-ylamino)benzonitrile?
4-(1-benzothiophen-2-ylamino)benzonitrile has a molecular weight of 250.33 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-ylamino)benzonitrile is sourced from PubChem (CID 168873123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).