3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one

C10H17NO2S — CID 103805832

IUPAC3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCCCCO
InChIInChI=1S/C10H17NO2S/c1-9-8-14-10(13)11(9)6-4-2-3-5-7-12/h8,12H,2-7H2,1H3
InChIKeyKJIPDSHYNZAKQA-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.77
Rot. Bonds6

About 3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one

3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 103805832) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one
PubChem CID103805832
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCCCCO
InChIInChI=1S/C10H17NO2S/c1-9-8-14-10(13)11(9)6-4-2-3-5-7-12/h8,12H,2-7H2,1H3
InChIKeyKJIPDSHYNZAKQA-UHFFFAOYSA-N
XLogP1.77
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one (CID 103805832) is 3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCCCCCO.
What is the InChIKey of 3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is KJIPDSHYNZAKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9-8-14-10(13)11(9)6-4-2-3-5-7-12/h8,12H,2-7H2,1H3.
What are the key properties of 3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one?
3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 215.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 103805832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).