2-thiophen-2-ylquinazoline-4-carbonitrile

C13H7N3S — CID 166594802

IUPAC2-thiophen-2-ylquinazoline-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C13H7N3S/c14-8-11-9-4-1-2-5-10(9)15-13(16-11)12-6-3-7-17-12/h1-7H
InChIKeyFHBXBTINVKDGFP-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.23
Rot. Bonds1

About 2-thiophen-2-ylquinazoline-4-carbonitrile

2-thiophen-2-ylquinazoline-4-carbonitrile (PubChem CID 166594802) has the molecular formula C13H7N3S and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-thiophen-2-ylquinazoline-4-carbonitrile.

Molecular Properties

Compound Name2-thiophen-2-ylquinazoline-4-carbonitrile
PubChem CID166594802
Molecular FormulaC13H7N3S
Molecular Weight237.29 g/mol
Exact Mass237.04
IUPAC Name2-thiophen-2-ylquinazoline-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C13H7N3S/c14-8-11-9-4-1-2-5-10(9)15-13(16-11)12-6-3-7-17-12/h1-7H
InChIKeyFHBXBTINVKDGFP-UHFFFAOYSA-N
XLogP3.23
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-thiophen-2-ylquinazoline-4-carbonitrile 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

4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
3-thiophen-2-yl-1,2,4-benzotriazine
CID 135025345
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
2-[4-(dimethylamino)phenyl]quinazoline-4-carbonitrile
CID 102339086
4-indol-1-yl-2-thiophen-2-ylquinazoline
CID 162400735
2-thiophen-2-ylsulfanylquinoline-4-carbonitrile
CID 63884513
2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid
CID 91964438
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
2-(4-hydroxypiperidin-1-yl)-5-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzonitrile
CID 133324910
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
4-(4-benzhydrylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 91964409

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylquinazoline-4-carbonitrile?
The IUPAC name of 2-thiophen-2-ylquinazoline-4-carbonitrile (CID 166594802) is 2-thiophen-2-ylquinazoline-4-carbonitrile.
What is the SMILES notation for 2-thiophen-2-ylquinazoline-4-carbonitrile?
The canonical SMILES for 2-thiophen-2-ylquinazoline-4-carbonitrile is N#Cc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 2-thiophen-2-ylquinazoline-4-carbonitrile?
The InChIKey is FHBXBTINVKDGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3S/c14-8-11-9-4-1-2-5-10(9)15-13(16-11)12-6-3-7-17-12/h1-7H.
What are the key properties of 2-thiophen-2-ylquinazoline-4-carbonitrile?
2-thiophen-2-ylquinazoline-4-carbonitrile has a molecular weight of 237.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylquinazoline-4-carbonitrile is sourced from PubChem (CID 166594802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).