3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one

C11H19NO3S — CID 111118268

IUPAC3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(O)COC(C)C)c1C
InChIInChI=1S/C11H19NO3S/c1-7(2)15-6-10(13)5-12-8(3)9(4)16-11(12)14/h7,10,13H,5-6H2,1-4H3
InChIKeyTZJPOYUMNIECGJ-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.31
Rot. Bonds5

About 3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one

3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 111118268) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID111118268
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(O)COC(C)C)c1C
InChIInChI=1S/C11H19NO3S/c1-7(2)15-6-10(13)5-12-8(3)9(4)16-11(12)14/h7,10,13H,5-6H2,1-4H3
InChIKeyTZJPOYUMNIECGJ-UHFFFAOYSA-N
XLogP1.31
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
CID 63310458
3-[2-(2-Hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63310460
3-(2,3-Dihydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
CID 82851091
3-(2-Hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one
CID 111118258

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 111118268) is 3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(O)COC(C)C)c1C.
What is the InChIKey of 3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is TZJPOYUMNIECGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-7(2)15-6-10(13)5-12-8(3)9(4)16-11(12)14/h7,10,13H,5-6H2,1-4H3.
What are the key properties of 3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 245.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 111118268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).