4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one

C18H19N3O2S2 — CID 72901419

IUPAC4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccccc2N1CC(=O)N1CCCCC1c1nccs1
InChIInChI=1S/C18H19N3O2S2/c22-16(20-9-4-3-6-14(20)18-19-8-10-24-18)11-21-13-5-1-2-7-15(13)25-12-17(21)23/h1-2,5,7-8,10,14H,3-4,6,9,11-12H2
InChIKeyDLSSNGBAZJJCEM-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.34
Rot. Bonds3

About 4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one

4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one (PubChem CID 72901419) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one
PubChem CID72901419
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccccc2N1CC(=O)N1CCCCC1c1nccs1
InChIInChI=1S/C18H19N3O2S2/c22-16(20-9-4-3-6-14(20)18-19-8-10-24-18)11-21-13-5-1-2-7-15(13)25-12-17(21)23/h1-2,5,7-8,10,14H,3-4,6,9,11-12H2
InChIKeyDLSSNGBAZJJCEM-UHFFFAOYSA-N
XLogP3.34
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one?
The IUPAC name of 4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one (CID 72901419) is 4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one?
The canonical SMILES for 4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one is O=C1CSc2ccccc2N1CC(=O)N1CCCCC1c1nccs1.
What is the InChIKey of 4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one?
The InChIKey is DLSSNGBAZJJCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c22-16(20-9-4-3-6-14(20)18-19-8-10-24-18)11-21-13-5-1-2-7-15(13)25-12-17(21)23/h1-2,5,7-8,10,14H,3-4,6,9,11-12H2.
What are the key properties of 4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one?
4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one has a molecular weight of 373.50 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one is sourced from PubChem (CID 72901419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).