N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide

C13H15N3O2S2 — CID 110793157

IUPACN-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC1Sc2ccc(NC(=O)C3CSCN3)cc2NC1=O
InChIInChI=1S/C13H15N3O2S2/c1-7-12(17)16-9-4-8(2-3-11(9)20-7)15-13(18)10-5-19-6-14-10/h2-4,7,10,14H,5-6H2,1H3,(H,15,18)(H,16,17)
InChIKeyQOIUVSFKUXTNKC-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.72
Rot. Bonds2

About N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide

N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 110793157) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID110793157
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC1Sc2ccc(NC(=O)C3CSCN3)cc2NC1=O
InChIInChI=1S/C13H15N3O2S2/c1-7-12(17)16-9-4-8(2-3-11(9)20-7)15-13(18)10-5-19-6-14-10/h2-4,7,10,14H,5-6H2,1H3,(H,15,18)(H,16,17)
InChIKeyQOIUVSFKUXTNKC-UHFFFAOYSA-N
XLogP1.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl bromide
CID 115193305
2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 82499331
2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 110778816
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-(3,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263074
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792568
N-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazolidine-4-carboxamide
CID 24706047
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758
benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate
CID 110778827

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide (CID 110793157) is N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide is CC1Sc2ccc(NC(=O)C3CSCN3)cc2NC1=O.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QOIUVSFKUXTNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-7-12(17)16-9-4-8(2-3-11(9)20-7)15-13(18)10-5-19-6-14-10/h2-4,7,10,14H,5-6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide?
N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 309.42 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110793157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).