N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C16H15N3O3S — CID 91648475

IUPACN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1noc(C2CC2)c1NC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C16H15N3O3S/c1-8-14(15(22-19-8)9-2-3-9)18-16(21)10-4-5-12-11(6-10)17-13(20)7-23-12/h4-6,9H,2-3,7H2,1H3,(H,17,20)(H,18,21)
InChIKeyJOSRGJLWDWNQHB-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.16
Rot. Bonds3

About N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 91648475) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID91648475
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1noc(C2CC2)c1NC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C16H15N3O3S/c1-8-14(15(22-19-8)9-2-3-9)18-16(21)10-4-5-12-11(6-10)17-13(20)7-23-12/h4-6,9H,2-3,7H2,1H3,(H,17,20)(H,18,21)
InChIKeyJOSRGJLWDWNQHB-UHFFFAOYSA-N
XLogP3.16
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 91648475) is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cc1noc(C2CC2)c1NC(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is JOSRGJLWDWNQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-8-14(15(22-19-8)9-2-3-9)18-16(21)10-4-5-12-11(6-10)17-13(20)7-23-12/h4-6,9H,2-3,7H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 91648475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).