2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C17H22N4OS — CID 22577594

IUPAC2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CNC(=O)CN1CCSc2ccccc21
InChIInChI=1S/C17H22N4OS/c1-12-14(13(2)20(3)19-12)10-18-17(22)11-21-8-9-23-16-7-5-4-6-15(16)21/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeySUXCCDCLGIYOKN-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.27
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 22577594) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID22577594
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CNC(=O)CN1CCSc2ccccc21
InChIInChI=1S/C17H22N4OS/c1-12-14(13(2)20(3)19-12)10-18-17(22)11-21-8-9-23-16-7-5-4-6-15(16)21/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeySUXCCDCLGIYOKN-UHFFFAOYSA-N
XLogP2.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 22577594) is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)c(C)c1CNC(=O)CN1CCSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is SUXCCDCLGIYOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-14(13(2)20(3)19-12)10-18-17(22)11-21-8-9-23-16-7-5-4-6-15(16)21/h4-7H,8-11H2,1-3H3,(H,18,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 330.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 22577594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).