4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one

C8H13NO2S — CID 123747379

IUPAC4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one
SMILESCC(C)CCn1c(O)csc1=O
InChIInChI=1S/C8H13NO2S/c1-6(2)3-4-9-7(10)5-12-8(9)11/h5-6,10H,3-4H2,1-2H3
InChIKeyVSFXXMPGKBHIBX-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.66
Rot. Bonds3

About 4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one

4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one (PubChem CID 123747379) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one
PubChem CID123747379
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one
SMILESCC(C)CCn1c(O)csc1=O
InChIInChI=1S/C8H13NO2S/c1-6(2)3-4-9-7(10)5-12-8(9)11/h5-6,10H,3-4H2,1-2H3
InChIKeyVSFXXMPGKBHIBX-UHFFFAOYSA-N
XLogP1.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Butyl-4-hydroxy-1,3-thiazol-2-one
CID 56631257
4-Hydroxy-3-propyl-1,3-thiazol-2-one
CID 123136344
3-(3-Hydroxy-3-methylbutyl)-1,3-thiazol-2-one
CID 79359881
3-(3-Methylbutyl)-1,3-thiazol-2-one
CID 115646869
3-(2-Methylbutyl)-1,3-thiazol-2-one
CID 115706048

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one (CID 123747379) is 4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one is CC(C)CCn1c(O)csc1=O.
What is the InChIKey of 4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one?
The InChIKey is VSFXXMPGKBHIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6(2)3-4-9-7(10)5-12-8(9)11/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one?
4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one has a molecular weight of 187.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one is sourced from PubChem (CID 123747379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).