2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C19H24N4O4S2 — CID 59332457

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(O)CC1)c1csc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C19H24N4O4S2/c24-14-5-7-22(8-6-14)17-4-2-1-3-15(17)20-18(25)16-13-28-19(21-16)23-9-11-29(26,27)12-10-23/h1-4,13-14,24H,5-12H2,(H,20,25)
InChIKeyIBLHMZJPGPSTOH-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.59
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 59332457) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID59332457
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(O)CC1)c1csc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C19H24N4O4S2/c24-14-5-7-22(8-6-14)17-4-2-1-3-15(17)20-18(25)16-13-28-19(21-16)23-9-11-29(26,27)12-10-23/h1-4,13-14,24H,5-12H2,(H,20,25)
InChIKeyIBLHMZJPGPSTOH-UHFFFAOYSA-N
XLogP1.59
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 59332457) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCC(O)CC1)c1csc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IBLHMZJPGPSTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c24-14-5-7-22(8-6-14)17-4-2-1-3-15(17)20-18(25)16-13-28-19(21-16)23-9-11-29(26,27)12-10-23/h1-4,13-14,24H,5-12H2,(H,20,25).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).