N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide

C20H18N4O2S — CID 37015518

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C20H18N4O2S/c25-19(22-15-7-8-18-17(10-15)23-20(26)13-27-18)9-6-14-11-21-24(12-14)16-4-2-1-3-5-16/h1-5,7-8,10-12H,6,9,13H2,(H,22,25)(H,23,26)
InChIKeyKQSQBNTXIPJVMY-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.49
Rot. Bonds5

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 37015518) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID37015518
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C20H18N4O2S/c25-19(22-15-7-8-18-17(10-15)23-20(26)13-27-18)9-6-14-11-21-24(12-14)16-4-2-1-3-5-16/h1-5,7-8,10-12H,6,9,13H2,(H,22,25)(H,23,26)
InChIKeyKQSQBNTXIPJVMY-UHFFFAOYSA-N
XLogP3.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide (CID 37015518) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is KQSQBNTXIPJVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-19(22-15-7-8-18-17(10-15)23-20(26)13-27-18)9-6-14-11-21-24(12-14)16-4-2-1-3-5-16/h1-5,7-8,10-12H,6,9,13H2,(H,22,25)(H,23,26).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 378.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 37015518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).