N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

C13H19N3O3S — CID 91832568

IUPACN-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCCN2CCCOC2=O)cs1
InChIInChI=1S/C13H19N3O3S/c1-9(2)12-15-10(8-20-12)11(17)14-4-6-16-5-3-7-19-13(16)18/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyGBTWLDHNOFOXEP-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 91832568) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID91832568
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCCN2CCCOC2=O)cs1
InChIInChI=1S/C13H19N3O3S/c1-9(2)12-15-10(8-20-12)11(17)14-4-6-16-5-3-7-19-13(16)18/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyGBTWLDHNOFOXEP-UHFFFAOYSA-N
XLogP1.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 91832568) is N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(=O)NCCN2CCCOC2=O)cs1.
What is the InChIKey of N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GBTWLDHNOFOXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(2)12-15-10(8-20-12)11(17)14-4-6-16-5-3-7-19-13(16)18/h8-9H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91832568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).