2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide

C15H16N4O2S — CID 56686325

IUPAC2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)NCCn2cccn2)Sc2ccccc2NC1=O
InChIInChI=1S/C15H16N4O2S/c1-15(13(20)16-8-10-19-9-4-7-17-19)14(21)18-11-5-2-3-6-12(11)22-15/h2-7,9H,8,10H2,1H3,(H,16,20)(H,18,21)
InChIKeyAEPKUKIJVXJKOZ-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.50
Rot. Bonds4

About 2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide

2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 56686325) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
PubChem CID56686325
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)NCCn2cccn2)Sc2ccccc2NC1=O
InChIInChI=1S/C15H16N4O2S/c1-15(13(20)16-8-10-19-9-4-7-17-19)14(21)18-11-5-2-3-6-12(11)22-15/h2-7,9H,8,10H2,1H3,(H,16,20)(H,18,21)
InChIKeyAEPKUKIJVXJKOZ-UHFFFAOYSA-N
XLogP1.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 56686326
4-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]butanoic acid
CID 75796903
N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767750
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767676
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767747
N-(1-benzylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767777
2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide
CID 75770004
2-methyl-3-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686314
2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75770012
N-(2-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769200
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686331

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide (CID 56686325) is 2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide is CC1(C(=O)NCCn2cccn2)Sc2ccccc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is AEPKUKIJVXJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-15(13(20)16-8-10-19-9-4-7-17-19)14(21)18-11-5-2-3-6-12(11)22-15/h2-7,9H,8,10H2,1H3,(H,16,20)(H,18,21).
What are the key properties of 2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide?
2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 56686325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).