9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide

C16H9Cl2N5OS — CID 71272133

IUPAC9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
SMILESNC(=O)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
InChIInChI=1S/C16H9Cl2N5OS/c17-7-1-2-9(8(18)5-7)22-15-12-10(20-6-21-15)3-4-11-13(12)25-16(23-11)14(19)24/h1-6H,(H2,19,24)(H,20,21,22)
InChIKeyVPLSDHGYIYFKRM-UHFFFAOYSA-N
MW390.26 g/mol
LogP4.39
Rot. Bonds3

About 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide

9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide (PubChem CID 71272133) has the molecular formula C16H9Cl2N5OS and a molecular weight of 390.26 g/mol. Its IUPAC name is 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide.

Molecular Properties

Compound Name9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
PubChem CID71272133
Molecular FormulaC16H9Cl2N5OS
Molecular Weight390.26 g/mol
Exact Mass388.99
IUPAC Name9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
SMILESNC(=O)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
InChIInChI=1S/C16H9Cl2N5OS/c17-7-1-2-9(8(18)5-7)22-15-12-10(20-6-21-15)3-4-11-13(12)25-16(23-11)14(19)24/h1-6H,(H2,19,24)(H,20,21,22)
InChIKeyVPLSDHGYIYFKRM-UHFFFAOYSA-N
XLogP4.39
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide 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 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
The IUPAC name of 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide (CID 71272133) is 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide.
What is the SMILES notation for 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
The canonical SMILES for 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide is NC(=O)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1.
What is the InChIKey of 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
The InChIKey is VPLSDHGYIYFKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N5OS/c17-7-1-2-9(8(18)5-7)22-15-12-10(20-6-21-15)3-4-11-13(12)25-16(23-11)14(19)24/h1-6H,(H2,19,24)(H,20,21,22).
What are the key properties of 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide has a molecular weight of 390.26 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dichloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide is sourced from PubChem (CID 71272133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).