5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide

C15H15N5O3S — CID 56804696

IUPAC5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]ncc1C(=O)NNC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C15H15N5O3S/c1-9-10(6-16-17-9)15(23)19-18-13(21)7-20-11-4-2-3-5-12(11)24-8-14(20)22/h2-6H,7-8H2,1H3,(H,16,17)(H,18,21)(H,19,23)
InChIKeyRYMLAHKILRMZMG-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.62
Rot. Bonds3

About 5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide

5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide (PubChem CID 56804696) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide
PubChem CID56804696
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]ncc1C(=O)NNC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C15H15N5O3S/c1-9-10(6-16-17-9)15(23)19-18-13(21)7-20-11-4-2-3-5-12(11)24-8-14(20)22/h2-6H,7-8H2,1H3,(H,16,17)(H,18,21)(H,19,23)
InChIKeyRYMLAHKILRMZMG-UHFFFAOYSA-N
XLogP0.62
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide (CID 56804696) is 5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide is Cc1[nH]ncc1C(=O)NNC(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of 5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide?
The InChIKey is RYMLAHKILRMZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-9-10(6-16-17-9)15(23)19-18-13(21)7-20-11-4-2-3-5-12(11)24-8-14(20)22/h2-6H,7-8H2,1H3,(H,16,17)(H,18,21)(H,19,23).
What are the key properties of 5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide?
5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide has a molecular weight of 345.38 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 56804696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).