3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one

C8H13NO2S — CID 43509713

IUPAC3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCCO
InChIInChI=1S/C8H13NO2S/c1-7-6-12-8(11)9(7)4-2-3-5-10/h6,10H,2-5H2,1H3
InChIKeyHXHXZIIMMYVGKQ-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.99
Rot. Bonds4

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

3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 43509713) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one
PubChem CID43509713
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCCO
InChIInChI=1S/C8H13NO2S/c1-7-6-12-8(11)9(7)4-2-3-5-10/h6,10H,2-5H2,1H3
InChIKeyHXHXZIIMMYVGKQ-UHFFFAOYSA-N
XLogP0.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 17980717
3-(2-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 43509711
3-(3-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 43509712
3-(5-Hydroxypentyl)-4-methyl-1,3-thiazol-2-one
CID 62228234
3-(4-Hydroxybutyl)-4,5-dimethyl-1,3-thiazol-2-one
CID 63310425
3-(3-Hydroxybutan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 80069881
3-(6-Hydroxyhexyl)-4-methyl-1,3-thiazol-2-one
CID 103805832
3-(3-Hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 104318489
3-(3-Hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
CID 115871038
3-(3-Hydroxy-2,2-dimethylpropyl)-4-methyl-2,3-dihydro-1,3-thiazol-2-one
CID 164652794

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one (CID 43509713) is 3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCCCO.
What is the InChIKey of 3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is HXHXZIIMMYVGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-7-6-12-8(11)9(7)4-2-3-5-10/h6,10H,2-5H2,1H3.
What are the key properties of 3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one?
3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 187.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43509713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).