N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide

C18H15N3O2S — CID 139983462

IUPACN-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide
SMILESO=C(Cc1ccc2c(=O)nc(-c3ccccn3)sc2c1)NC1CC1
InChIInChI=1S/C18H15N3O2S/c22-16(20-12-5-6-12)10-11-4-7-13-15(9-11)24-18(21-17(13)23)14-3-1-2-8-19-14/h1-4,7-9,12H,5-6,10H2,(H,20,22)
InChIKeyGDJKHENZBFLNND-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.54
Rot. Bonds4

About N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide

N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide (PubChem CID 139983462) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide
PubChem CID139983462
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide
SMILESO=C(Cc1ccc2c(=O)nc(-c3ccccn3)sc2c1)NC1CC1
InChIInChI=1S/C18H15N3O2S/c22-16(20-12-5-6-12)10-11-4-7-13-15(9-11)24-18(21-17(13)23)14-3-1-2-8-19-14/h1-4,7-9,12H,5-6,10H2,(H,20,22)
InChIKeyGDJKHENZBFLNND-UHFFFAOYSA-N
XLogP2.54
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid
CID 22939340
N-cyclopropyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328901
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563691
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-(4-aminocyclohexyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 119477790
4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82436326
N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58904928
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328926
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide (CID 139983462) is N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide is O=C(Cc1ccc2c(=O)nc(-c3ccccn3)sc2c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide?
The InChIKey is GDJKHENZBFLNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-16(20-12-5-6-12)10-11-4-7-13-15(9-11)24-18(21-17(13)23)14-3-1-2-8-19-14/h1-4,7-9,12H,5-6,10H2,(H,20,22).
What are the key properties of N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide?
N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide is sourced from PubChem (CID 139983462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).