3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide

C13H12N4O2S — CID 60736157

IUPAC3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NCc3cn[nH]c3)cc2N1
InChIInChI=1S/C13H12N4O2S/c18-12-7-20-11-2-1-9(3-10(11)17-12)13(19)14-4-8-5-15-16-6-8/h1-3,5-6H,4,7H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyMASBUYBDWOCMII-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.38
Rot. Bonds3

About 3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide

3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 60736157) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
PubChem CID60736157
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NCc3cn[nH]c3)cc2N1
InChIInChI=1S/C13H12N4O2S/c18-12-7-20-11-2-1-9(3-10(11)17-12)13(19)14-4-8-5-15-16-6-8/h1-3,5-6H,4,7H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyMASBUYBDWOCMII-UHFFFAOYSA-N
XLogP1.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-(1H-pyrazol-5-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 47285751
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55662714
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
CID 110784744
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276
1-[[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449165
N-[(1-hydroxycyclobutyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 115643288
3-oxo-N-(2-pyridin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 36866253
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
N-(1,3-benzothiazol-2-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 38135193
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
3-oxo-N-(3-phenylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 17394149

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide (CID 60736157) is 3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)NCc3cn[nH]c3)cc2N1.
What is the InChIKey of 3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is MASBUYBDWOCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-12-7-20-11-2-1-9(3-10(11)17-12)13(19)14-4-8-5-15-16-6-8/h1-3,5-6H,4,7H2,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide?
3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 60736157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).