4-oxo-3,1-benzothiazine-2-carboxamide

C9H6N2O2S — CID 14478769

IUPAC4-oxo-3,1-benzothiazine-2-carboxamide
SMILESNC(=O)c1nc2ccccc2c(=O)s1
InChIInChI=1S/C9H6N2O2S/c10-7(12)8-11-6-4-2-1-3-5(6)9(13)14-8/h1-4H,(H2,10,12)
InChIKeyGZGCSWIONXVMBH-UHFFFAOYSA-N
MW206.23 g/mol
LogP0.76
Rot. Bonds1

About 4-oxo-3,1-benzothiazine-2-carboxamide

4-oxo-3,1-benzothiazine-2-carboxamide (PubChem CID 14478769) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 4-oxo-3,1-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-3,1-benzothiazine-2-carboxamide
PubChem CID14478769
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name4-oxo-3,1-benzothiazine-2-carboxamide
SMILESNC(=O)c1nc2ccccc2c(=O)s1
InChIInChI=1S/C9H6N2O2S/c10-7(12)8-11-6-4-2-1-3-5(6)9(13)14-8/h1-4H,(H2,10,12)
InChIKeyGZGCSWIONXVMBH-UHFFFAOYSA-N
XLogP0.76
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-oxo-3,1-benzothiazin-2-yl)acetamide
CID 2810227
2-[5-(4-oxo-3,1-benzothiazin-2-yl)thiophen-2-yl]-3,1-benzothiazin-4-one
CID 25133010
2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 59291531
4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 57387311
4-(2-amino-2-iminoethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 57298355
4-phenylquinazoline-2-carboxamide
CID 14528191
4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide
CID 121438076
3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 141094419
4-chloro-1,3-benzothiazole-2-carboxamide
CID 22283388
4-ethylquinoline-2-carboxamide
CID 174714299
2-formylquinoline-4-carboxamide
CID 15560688

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3,1-benzothiazine-2-carboxamide?
The IUPAC name of 4-oxo-3,1-benzothiazine-2-carboxamide (CID 14478769) is 4-oxo-3,1-benzothiazine-2-carboxamide.
What is the SMILES notation for 4-oxo-3,1-benzothiazine-2-carboxamide?
The canonical SMILES for 4-oxo-3,1-benzothiazine-2-carboxamide is NC(=O)c1nc2ccccc2c(=O)s1.
What is the InChIKey of 4-oxo-3,1-benzothiazine-2-carboxamide?
The InChIKey is GZGCSWIONXVMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c10-7(12)8-11-6-4-2-1-3-5(6)9(13)14-8/h1-4H,(H2,10,12).
What are the key properties of 4-oxo-3,1-benzothiazine-2-carboxamide?
4-oxo-3,1-benzothiazine-2-carboxamide has a molecular weight of 206.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3,1-benzothiazine-2-carboxamide is sourced from PubChem (CID 14478769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).