N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

C17H11ClN4S — CID 118736893

IUPACN-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESClc1ccccc1Nc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C17H11ClN4S/c18-13-3-1-2-4-15(13)22-17-12-7-11(16-8-19-10-23-16)5-6-14(12)20-9-21-17/h1-10H,(H,20,21,22)
InChIKeyVZSUHMSVIQXXMK-UHFFFAOYSA-N
MW338.82 g/mol
LogP5.15
Rot. Bonds3

About N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736893) has the molecular formula C17H11ClN4S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736893
Molecular FormulaC17H11ClN4S
Molecular Weight338.82 g/mol
Exact Mass338.04
IUPAC NameN-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESClc1ccccc1Nc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C17H11ClN4S/c18-13-3-1-2-4-15(13)22-17-12-7-11(16-8-19-10-23-16)5-6-14(12)20-9-21-17/h1-10H,(H,20,21,22)
InChIKeyVZSUHMSVIQXXMK-UHFFFAOYSA-N
XLogP5.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine 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 N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736893) is N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is Clc1ccccc1Nc1ncnc2ccc(-c3cncs3)cc12.
What is the InChIKey of N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is VZSUHMSVIQXXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4S/c18-13-3-1-2-4-15(13)22-17-12-7-11(16-8-19-10-23-16)5-6-14(12)20-9-21-17/h1-10H,(H,20,21,22).
What are the key properties of N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 338.82 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).