2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole

C15H8ClN3S2 — CID 22693192

IUPAC2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole
SMILESClc1nc(Sc2nc3ccccc3s2)c2ccccc2n1
InChIInChI=1S/C15H8ClN3S2/c16-14-17-10-6-2-1-5-9(10)13(19-14)21-15-18-11-7-3-4-8-12(11)20-15/h1-8H
InChIKeyLJWKUGYXJNCRBO-UHFFFAOYSA-N
MW329.84 g/mol
LogP5.04
Rot. Bonds2

About 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole

2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole (PubChem CID 22693192) has the molecular formula C15H8ClN3S2 and a molecular weight of 329.84 g/mol. Its IUPAC name is 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole
PubChem CID22693192
Molecular FormulaC15H8ClN3S2
Molecular Weight329.84 g/mol
Exact Mass328.98
IUPAC Name2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole
SMILESClc1nc(Sc2nc3ccccc3s2)c2ccccc2n1
InChIInChI=1S/C15H8ClN3S2/c16-14-17-10-6-2-1-5-9(10)13(19-14)21-15-18-11-7-3-4-8-12(11)20-15/h1-8H
InChIKeyLJWKUGYXJNCRBO-UHFFFAOYSA-N
XLogP5.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.84
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole 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

2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 7454001
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
CID 83156623
6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
CID 114049977
2-[[4-(1,3-benzothiazol-2-yldisulfanyl)naphthalen-1-yl]disulfanyl]-1,3-benzothiazole
CID 18349403
2-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 114072770
4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dichloroaniline
CID 106891279
2-(1,3-benzothiazol-2-ylsulfanyl)naphthalene-1,4-diol
CID 15141994
2-(6-chloropyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 60726972
2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 110435768
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
2-chloro-4-(1-methylimidazol-2-yl)sulfanylquinazoline
CID 62475828
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole
CID 119094159

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole?
The IUPAC name of 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole (CID 22693192) is 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole.
What is the SMILES notation for 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole?
The canonical SMILES for 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole is Clc1nc(Sc2nc3ccccc3s2)c2ccccc2n1.
What is the InChIKey of 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole?
The InChIKey is LJWKUGYXJNCRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3S2/c16-14-17-10-6-2-1-5-9(10)13(19-14)21-15-18-11-7-3-4-8-12(11)20-15/h1-8H.
What are the key properties of 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole?
2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole has a molecular weight of 329.84 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole is sourced from PubChem (CID 22693192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).