(2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one

C17H19N3OS2 — CID 2470531

IUPAC(2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one
SMILESCc1nc(N2CCCCC2)sc1[C@@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C17H19N3OS2/c1-11-14(23-17(18-11)20-9-5-2-6-10-20)15-16(21)19-12-7-3-4-8-13(12)22-15/h3-4,7-8,15H,2,5-6,9-10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyBIPVPRKZBKLPMC-HNNXBMFYSA-N
MW345.49 g/mol
LogP4.23
Rot. Bonds2

About (2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one

(2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one (PubChem CID 2470531) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name(2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one
PubChem CID2470531
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC Name(2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one
SMILESCc1nc(N2CCCCC2)sc1[C@@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C17H19N3OS2/c1-11-14(23-17(18-11)20-9-5-2-6-10-20)15-16(21)19-12-7-3-4-8-13(12)22-15/h3-4,7-8,15H,2,5-6,9-10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyBIPVPRKZBKLPMC-HNNXBMFYSA-N
XLogP4.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of (2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one (CID 2470531) is (2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for (2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for (2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one is Cc1nc(N2CCCCC2)sc1[C@@H]1Sc2ccccc2NC1=O.
What is the InChIKey of (2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one?
The InChIKey is BIPVPRKZBKLPMC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3OS2/c1-11-14(23-17(18-11)20-9-5-2-6-10-20)15-16(21)19-12-7-3-4-8-13(12)22-15/h3-4,7-8,15H,2,5-6,9-10H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one?
(2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one has a molecular weight of 345.49 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 2470531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).