N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide

C16H14N2O3S2 — CID 78797294

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
SMILESCOc1cccc2sc(NC(=O)c3ccc(S(C)=O)cc3)nc12
InChIInChI=1S/C16H14N2O3S2/c1-21-12-4-3-5-13-14(12)17-16(22-13)18-15(19)10-6-8-11(9-7-10)23(2)20/h3-9H,1-2H3,(H,17,18,19)
InChIKeyLBPXUYLFSUSASU-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.29
Rot. Bonds4

About N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide

N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide (PubChem CID 78797294) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
PubChem CID78797294
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
SMILESCOc1cccc2sc(NC(=O)c3ccc(S(C)=O)cc3)nc12
InChIInChI=1S/C16H14N2O3S2/c1-21-12-4-3-5-13-14(12)17-16(22-13)18-15(19)10-6-8-11(9-7-10)23(2)20/h3-9H,1-2H3,(H,17,18,19)
InChIKeyLBPXUYLFSUSASU-UHFFFAOYSA-N
XLogP3.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide 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

4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
4-methoxy-N-[(4-methylsulfinylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 86782892
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 16803054
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24586156
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 17432386

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide (CID 78797294) is N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide is COc1cccc2sc(NC(=O)c3ccc(S(C)=O)cc3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide?
The InChIKey is LBPXUYLFSUSASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-21-12-4-3-5-13-14(12)17-16(22-13)18-15(19)10-6-8-11(9-7-10)23(2)20/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide is sourced from PubChem (CID 78797294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).