N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

C17H20N4O2S — CID 31847813

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCN1C(=O)CSc2ccccc21
InChIInChI=1S/C17H20N4O2S/c1-19(10-13-9-18-20(2)11-13)16(22)7-8-21-14-5-3-4-6-15(14)24-12-17(21)23/h3-6,9,11H,7-8,10,12H2,1-2H3
InChIKeyGRAXGKWDLILLER-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.91
Rot. Bonds5

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (PubChem CID 31847813) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
PubChem CID31847813
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCN1C(=O)CSc2ccccc21
InChIInChI=1S/C17H20N4O2S/c1-19(10-13-9-18-20(2)11-13)16(22)7-8-21-14-5-3-4-6-15(14)24-12-17(21)23/h3-6,9,11H,7-8,10,12H2,1-2H3
InChIKeyGRAXGKWDLILLER-UHFFFAOYSA-N
XLogP1.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (CID 31847813) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is CN(Cc1cnn(C)c1)C(=O)CCN1C(=O)CSc2ccccc21.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The InChIKey is GRAXGKWDLILLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-19(10-13-9-18-20(2)11-13)16(22)7-8-21-14-5-3-4-6-15(14)24-12-17(21)23/h3-6,9,11H,7-8,10,12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide has a molecular weight of 344.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is sourced from PubChem (CID 31847813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).