N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine

C16H10Cl2N4S — CID 142719360

IUPACN-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine
SMILESCc1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
InChIInChI=1S/C16H10Cl2N4S/c1-8-21-13-5-4-12-14(15(13)23-8)16(20-7-19-12)22-11-3-2-9(17)6-10(11)18/h2-7H,1H3,(H,19,20,22)
InChIKeyFQLONFVTYDGZQE-UHFFFAOYSA-N
MW361.26 g/mol
LogP5.60
Rot. Bonds2

About N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine

N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine (PubChem CID 142719360) has the molecular formula C16H10Cl2N4S and a molecular weight of 361.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine
PubChem CID142719360
Molecular FormulaC16H10Cl2N4S
Molecular Weight361.26 g/mol
Exact Mass360.00
IUPAC NameN-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine
SMILESCc1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
InChIInChI=1S/C16H10Cl2N4S/c1-8-21-13-5-4-12-14(15(13)23-8)16(20-7-19-12)22-11-3-2-9(17)6-10(11)18/h2-7H,1H3,(H,19,20,22)
InChIKeyFQLONFVTYDGZQE-UHFFFAOYSA-N
XLogP5.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.26
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-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-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine (CID 142719360) is N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine is Cc1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine?
The InChIKey is FQLONFVTYDGZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4S/c1-8-21-13-5-4-12-14(15(13)23-8)16(20-7-19-12)22-11-3-2-9(17)6-10(11)18/h2-7H,1H3,(H,19,20,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine?
N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine has a molecular weight of 361.26 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine is sourced from PubChem (CID 142719360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).