2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C14H13N3O2S2 — CID 51153697

IUPAC2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3c(c2)NC(=O)C(C)S3)s1
InChIInChI=1S/C14H13N3O2S2/c1-7-6-15-14(20-7)17-13(19)9-3-4-11-10(5-9)16-12(18)8(2)21-11/h3-6,8H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyUYBIISMJWVNZRX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.14
Rot. Bonds2

About 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 51153697) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID51153697
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3c(c2)NC(=O)C(C)S3)s1
InChIInChI=1S/C14H13N3O2S2/c1-7-6-15-14(20-7)17-13(19)9-3-4-11-10(5-9)16-12(18)8(2)21-11/h3-6,8H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyUYBIISMJWVNZRX-UHFFFAOYSA-N
XLogP3.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide 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-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 18084170
2-methyl-3-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 42916640
(2S)-2-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7779662
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 112794484
(2S)-N-(2,3-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41013265
(2R)-N-(4-bromo-2-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51545700
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 86942028
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51148430
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
(2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 41163618
ethyl 4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]benzoate
CID 7780126

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 51153697) is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cc1cnc(NC(=O)c2ccc3c(c2)NC(=O)C(C)S3)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is UYBIISMJWVNZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-7-6-15-14(20-7)17-13(19)9-3-4-11-10(5-9)16-12(18)8(2)21-11/h3-6,8H,1-2H3,(H,16,18)(H,15,17,19).
What are the key properties of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 51153697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).