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

C15H16N4O2S — CID 32605468

IUPACN-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCn1cc(NC(=O)CCN2C(=O)CSc3ccccc32)cn1
InChIInChI=1S/C15H16N4O2S/c1-18-9-11(8-16-18)17-14(20)6-7-19-12-4-2-3-5-13(12)22-10-15(19)21/h2-5,8-9H,6-7,10H2,1H3,(H,17,20)
InChIKeyQVOPKICOUCVJJA-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.89
Rot. Bonds4

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

N-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (PubChem CID 32605468) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
PubChem CID32605468
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESCn1cc(NC(=O)CCN2C(=O)CSc3ccccc32)cn1
InChIInChI=1S/C15H16N4O2S/c1-18-9-11(8-16-18)17-14(20)6-7-19-12-4-2-3-5-13(12)22-10-15(19)21/h2-5,8-9H,6-7,10H2,1H3,(H,17,20)
InChIKeyQVOPKICOUCVJJA-UHFFFAOYSA-N
XLogP1.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.89
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)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (CID 32605468) is N-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is Cn1cc(NC(=O)CCN2C(=O)CSc3ccccc32)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The InChIKey is QVOPKICOUCVJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-18-9-11(8-16-18)17-14(20)6-7-19-12-4-2-3-5-13(12)22-10-15(19)21/h2-5,8-9H,6-7,10H2,1H3,(H,17,20).
What are the key properties of N-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
N-(1-methylpyrazol-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide has a molecular weight of 316.39 g/mol, XLogP of 1.89, 4 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)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is sourced from PubChem (CID 32605468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).