4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide

C13H11N3O2S2 — CID 54688181

IUPAC4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide
SMILESCN1Sc2ccccc2C(O)=C1C(=O)Nc1nccs1
InChIInChI=1S/C13H11N3O2S2/c1-16-10(12(18)15-13-14-6-7-19-13)11(17)8-4-2-3-5-9(8)20-16/h2-7,17H,1H3,(H,14,15,18)
InChIKeyJVQZYXULFQTSKT-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.96
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide (PubChem CID 54688181) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide
PubChem CID54688181
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide
SMILESCN1Sc2ccccc2C(O)=C1C(=O)Nc1nccs1
InChIInChI=1S/C13H11N3O2S2/c1-16-10(12(18)15-13-14-6-7-19-13)11(17)8-4-2-3-5-9(8)20-16/h2-7,17H,1H3,(H,14,15,18)
InChIKeyJVQZYXULFQTSKT-UHFFFAOYSA-N
XLogP2.96
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-4-hydroxy-2-methyl-1,2-benzothiazine-3-carboxamide
CID 141335053
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2999793
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 940171
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
4-hydroxy-1-methyl-2,2-dioxo-N-(1,3-thiazol-2-yl)-3H-2λ6,1-benzothiazepine-5-carboxamide
CID 54693810
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide
CID 56990367
1,3-dimethyl-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 84560983
2-ethyl-4-hydroxy-5-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide
CID 54684972
4-amino-1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641889

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide (CID 54688181) is 4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide is CN1Sc2ccccc2C(O)=C1C(=O)Nc1nccs1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide?
The InChIKey is JVQZYXULFQTSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-16-10(12(18)15-13-14-6-7-19-13)11(17)8-4-2-3-5-9(8)20-16/h2-7,17H,1H3,(H,14,15,18).
What are the key properties of 4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54688181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).