4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide

C17H17N3OS2 — CID 126422726

IUPAC4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide
SMILESCc1ccc(-c2nc(N3CCS(=O)CC3)c3ccccc3n2)s1
InChIInChI=1S/C17H17N3OS2/c1-12-6-7-15(22-12)16-18-14-5-3-2-4-13(14)17(19-16)20-8-10-23(21)11-9-20/h2-7H,8-11H2,1H3
InChIKeyWQJMLGQUXFUQEC-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.24
Rot. Bonds2

About 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide

4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide (PubChem CID 126422726) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide
PubChem CID126422726
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide
SMILESCc1ccc(-c2nc(N3CCS(=O)CC3)c3ccccc3n2)s1
InChIInChI=1S/C17H17N3OS2/c1-12-6-7-15(22-12)16-18-14-5-3-2-4-13(14)17(19-16)20-8-10-23(21)11-9-20/h2-7H,8-11H2,1H3
InChIKeyWQJMLGQUXFUQEC-UHFFFAOYSA-N
XLogP3.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide 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

(3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide
CID 126422724
4-(4-benzhydrylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 91964409
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
CID 2790962
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 2491762
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
4-(azepan-1-yl)-2-(4-tert-butylphenyl)quinazoline
CID 23852302
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
2-(1-methyl-5-nitroimidazol-2-yl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 102057130
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline
CID 4110916

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide (CID 126422726) is 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide is Cc1ccc(-c2nc(N3CCS(=O)CC3)c3ccccc3n2)s1.
What is the InChIKey of 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide?
The InChIKey is WQJMLGQUXFUQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-12-6-7-15(22-12)16-18-14-5-3-2-4-13(14)17(19-16)20-8-10-23(21)11-9-20/h2-7H,8-11H2,1H3.
What are the key properties of 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide?
4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide has a molecular weight of 343.48 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 126422726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).