2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one

C15H12N4OS — CID 756031

IUPAC2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Nc3nc4ccccc4s3)ncc21
InChIInChI=1S/C15H12N4OS/c20-12-6-3-5-10-9(12)8-16-14(17-10)19-15-18-11-4-1-2-7-13(11)21-15/h1-2,4,7-8H,3,5-6H2,(H,16,17,18,19)
InChIKeyHMMXXYPTFIGLOQ-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.35
Rot. Bonds2

About 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one

2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 756031) has the molecular formula C15H12N4OS and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID756031
Molecular FormulaC15H12N4OS
Molecular Weight296.35 g/mol
Exact Mass296.07
IUPAC Name2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Nc3nc4ccccc4s3)ncc21
InChIInChI=1S/C15H12N4OS/c20-12-6-3-5-10-9(12)8-16-14(17-10)19-15-18-11-4-1-2-7-13(11)21-15/h1-2,4,7-8H,3,5-6H2,(H,16,17,18,19)
InChIKeyHMMXXYPTFIGLOQ-UHFFFAOYSA-N
XLogP3.35
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one 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-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
1-[2-(1,3-Benzothiazol-2-ylamino)-4,6-dimethylpyrimidin-5-yl]ethanone
CID 939124
2-Amino-benzothiazole-6-carboxylic acid (3-methyl-pyridin-2-yl)-amide
CID 652148
US11603523, Example 310
CID 155002954
4-[[3-(1,3-Thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide
CID 77014395
4-[3-(5-Aminomethyl-thiazol-2-ylamino)-benzylamino]-quinazoline-8-carboxylic acid amide
CID 77014396
3-{[4-(1,3-Benzothiazol-6-ylamino)pyrimidin-2-yl]amino}benzamide
CID 25138035
3-amino-5-oxo-N-(thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1598462
3-amino-N-(1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 16424706
2-(pyrimidin-4-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 44320801
2-[(6-ethylpyrimidin-4-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 44321118
4-[[6-(5-Thiazolyl)-4-quinazolinyl]amino]benzamide
CID 118736904

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 756031) is 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(Nc3nc4ccccc4s3)ncc21.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HMMXXYPTFIGLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-12-6-3-5-10-9(12)8-16-14(17-10)19-15-18-11-4-1-2-7-13(11)21-15/h1-2,4,7-8H,3,5-6H2,(H,16,17,18,19).
What are the key properties of 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one?
2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 296.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 756031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).