3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione

C15H8ClN3O2S — CID 2754474

IUPAC3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1nc2c(Cl)cccc2s1
InChIInChI=1S/C15H8ClN3O2S/c16-9-5-3-7-11-12(9)18-15(22-11)19-13(20)8-4-1-2-6-10(8)17-14(19)21/h1-7H,(H,17,21)
InChIKeyBRYLFCKWVRQFPH-UHFFFAOYSA-N
MW329.77 g/mol
LogP2.94
Rot. Bonds1

About 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione

3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione (PubChem CID 2754474) has the molecular formula C15H8ClN3O2S and a molecular weight of 329.77 g/mol. Its IUPAC name is 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione
PubChem CID2754474
Molecular FormulaC15H8ClN3O2S
Molecular Weight329.77 g/mol
Exact Mass329.00
IUPAC Name3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1nc2c(Cl)cccc2s1
InChIInChI=1S/C15H8ClN3O2S/c16-9-5-3-7-11-12(9)18-15(22-11)19-13(20)8-4-1-2-6-10(8)17-14(19)21/h1-7H,(H,17,21)
InChIKeyBRYLFCKWVRQFPH-UHFFFAOYSA-N
XLogP2.94
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione 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

N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340
6-N-(2-chloro-6-methylphenyl)-2-N-cyclopropane-1,3-benzothiazole-2,6-dicarboxamide
CID 17960401
N-(1,3-Benzothiazol-2-YL)-4-chlorobenzamide
CID 587146
Bms-243117
CID 9823235
2-[3-(1,1-Dimethyl-propyl)-ureido]-benzothiazole-6-carboxylic acid (2-chloro-6-methyl-phenyl)-amide
CID 22634192
2-(2-o-Tolyl-acetylamino)-benzothiazole-6-carboxylic acid (2-chloro-6-methyl-phenyl)-amide
CID 22634197
2-[(2-Methyl-cyclopropanecarbonyl)-amino]-benzothiazole-6-carboxylic acid (2-chloro-6-methyl-phenyl)-amide
CID 22634359
2-(2-Cyclopropyl-acetylamino)-benzothiazole-6-carboxylic acid (2-chloro-6-methyl-phenyl)-amide
CID 22634530
2-(Cyclobutanecarbonyl-amino)-benzothiazole-6-carboxylic acid (2-chloro-6-methyl-phenyl)-amide
CID 22634565
N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide
CID 2481995
2-[(6-amino-2-pyridinyl)amino]-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 44320815
N-(2-chloro-6-methylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)amino]-1,3-benzothiazole-6-carboxamide
CID 44321005

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione (CID 2754474) is 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1-c1nc2c(Cl)cccc2s1.
What is the InChIKey of 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione?
The InChIKey is BRYLFCKWVRQFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O2S/c16-9-5-3-7-11-12(9)18-15(22-11)19-13(20)8-4-1-2-6-10(8)17-14(19)21/h1-7H,(H,17,21).
What are the key properties of 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione?
3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione has a molecular weight of 329.77 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 2754474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).