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

C10H17NO3S — CID 111118258

IUPAC3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(O)COC(C)C
InChIInChI=1S/C10H17NO3S/c1-7(2)14-5-9(12)4-11-8(3)6-15-10(11)13/h6-7,9,12H,4-5H2,1-3H3
InChIKeyYSWYYUDISSLVQV-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.00
Rot. Bonds5

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

3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 111118258) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one
PubChem CID111118258
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(O)COC(C)C
InChIInChI=1S/C10H17NO3S/c1-7(2)14-5-9(12)4-11-8(3)6-15-10(11)13/h6-7,9,12H,4-5H2,1-3H3
InChIKeyYSWYYUDISSLVQV-UHFFFAOYSA-N
XLogP1.00
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 54993492
3-(2-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 60884269
3-[2-(2-Hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one
CID 61070159
N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 61581161
3-(2,3-Dihydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 79838813
3-(3-Hydroxybutan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 80069881
3-(2-Hydroxy-3-propan-2-yloxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
CID 111118268
3-[2-[(2-Hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 111462495

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one (CID 111118258) is 3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(O)COC(C)C.
What is the InChIKey of 3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is YSWYYUDISSLVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-7(2)14-5-9(12)4-11-8(3)6-15-10(11)13/h6-7,9,12H,4-5H2,1-3H3.
What are the key properties of 3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one?
3-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 231.32 g/mol, XLogP of 1.00, 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-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 111118258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).