N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C14H14N4O2S — CID 32605301

IUPACN-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCn1cc(NC(=O)CN2C(=O)CSc3ccccc32)cn1
InChIInChI=1S/C14H14N4O2S/c1-17-7-10(6-15-17)16-13(19)8-18-11-4-2-3-5-12(11)21-9-14(18)20/h2-7H,8-9H2,1H3,(H,16,19)
InChIKeyZEZYZQUMSNUWGL-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.50
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 32605301) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID32605301
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCn1cc(NC(=O)CN2C(=O)CSc3ccccc32)cn1
InChIInChI=1S/C14H14N4O2S/c1-17-7-10(6-15-17)16-13(19)8-18-11-4-2-3-5-12(11)21-9-14(18)20/h2-7H,8-9H2,1H3,(H,16,19)
InChIKeyZEZYZQUMSNUWGL-UHFFFAOYSA-N
XLogP1.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 32605301) is N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is Cn1cc(NC(=O)CN2C(=O)CSc3ccccc32)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is ZEZYZQUMSNUWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-17-7-10(6-15-17)16-13(19)8-18-11-4-2-3-5-12(11)21-9-14(18)20/h2-7H,8-9H2,1H3,(H,16,19).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 302.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 32605301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).