N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C16H16N4O2S — CID 47078473

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H16N4O2S/c21-15(18-14-7-11(19-20-14)9-5-6-9)8-13-16(22)17-10-3-1-2-4-12(10)23-13/h1-4,7,9,13H,5-6,8H2,(H,17,22)(H2,18,19,20,21)
InChIKeyQGOWALSEVJHHIQ-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.73
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 47078473) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID47078473
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H16N4O2S/c21-15(18-14-7-11(19-20-14)9-5-6-9)8-13-16(22)17-10-3-1-2-4-12(10)23-13/h1-4,7,9,13H,5-6,8H2,(H,17,22)(H2,18,19,20,21)
InChIKeyQGOWALSEVJHHIQ-UHFFFAOYSA-N
XLogP2.73
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide
CID 11837212
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2852355
N-(1-methylpyrazol-3-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 51537804
3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide
CID 47034434
N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211933
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 97194233
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
CID 11837209

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 47078473) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is QGOWALSEVJHHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-15(18-14-7-11(19-20-14)9-5-6-9)8-13-16(22)17-10-3-1-2-4-12(10)23-13/h1-4,7,9,13H,5-6,8H2,(H,17,22)(H2,18,19,20,21).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 47078473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).