(2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide

C13H20N2O3S — CID 96547679

IUPAC(2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide
SMILESCC(C)c1nc([C@@H](C)NC(=O)[C@@H]2COCCO2)cs1
InChIInChI=1S/C13H20N2O3S/c1-8(2)13-15-10(7-19-13)9(3)14-12(16)11-6-17-4-5-18-11/h7-9,11H,4-6H2,1-3H3,(H,14,16)/t9-,11+/m1/s1
InChIKeyLOUUZAKTHPMOPV-KOLCDFICSA-N
MW284.38 g/mol
LogP1.86
Rot. Bonds4

About (2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide

(2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide (PubChem CID 96547679) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide
PubChem CID96547679
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide
SMILESCC(C)c1nc([C@@H](C)NC(=O)[C@@H]2COCCO2)cs1
InChIInChI=1S/C13H20N2O3S/c1-8(2)13-15-10(7-19-13)9(3)14-12(16)11-6-17-4-5-18-11/h7-9,11H,4-6H2,1-3H3,(H,14,16)/t9-,11+/m1/s1
InChIKeyLOUUZAKTHPMOPV-KOLCDFICSA-N
XLogP1.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide (CID 96547679) is (2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide is CC(C)c1nc([C@@H](C)NC(=O)[C@@H]2COCCO2)cs1.
What is the InChIKey of (2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide?
The InChIKey is LOUUZAKTHPMOPV-KOLCDFICSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-8(2)13-15-10(7-19-13)9(3)14-12(16)11-6-17-4-5-18-11/h7-9,11H,4-6H2,1-3H3,(H,14,16)/t9-,11+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide?
(2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 96547679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).