3-butyl-4-hydroxy-1,3-thiazol-2-one

C7H11NO2S — CID 56631257

IUPAC3-butyl-4-hydroxy-1,3-thiazol-2-one
SMILESCCCCn1c(O)csc1=O
InChIInChI=1S/C7H11NO2S/c1-2-3-4-8-6(9)5-11-7(8)10/h5,9H,2-4H2,1H3
InChIKeyITGCCAMHVXBTBS-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.42
Rot. Bonds3

About 3-butyl-4-hydroxy-1,3-thiazol-2-one

3-butyl-4-hydroxy-1,3-thiazol-2-one (PubChem CID 56631257) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-1,3-thiazol-2-one
PubChem CID56631257
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-butyl-4-hydroxy-1,3-thiazol-2-one
SMILESCCCCn1c(O)csc1=O
InChIInChI=1S/C7H11NO2S/c1-2-3-4-8-6(9)5-11-7(8)10/h5,9H,2-4H2,1H3
InChIKeyITGCCAMHVXBTBS-UHFFFAOYSA-N
XLogP1.42
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-2H-1,3-thiazole-3-carboxylic acid
CID 17889498
4-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 53709471
3-(4-Bromobutyl)-4-hydroxy-1,3-thiazol-2-one
CID 53748163
3-(3-Bromobutyl)-4-hydroxy-1,3-thiazol-2-one
CID 54032066
3-Ethyl-4-hydroxy-1,3-thiazol-2-one
CID 54276559
4-Hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one
CID 54426525
4-Hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one
CID 91449679
4-Hydroxy-3-propyl-1,3-thiazol-2-one
CID 123136344
3-[2-(Dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one
CID 123700873
4-Hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one
CID 123747379
3-Butyl-1,3-thiazol-2-one
CID 13828889

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-butyl-4-hydroxy-1,3-thiazol-2-one (CID 56631257) is 3-butyl-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-1,3-thiazol-2-one is CCCCn1c(O)csc1=O.
What is the InChIKey of 3-butyl-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is ITGCCAMHVXBTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-2-3-4-8-6(9)5-11-7(8)10/h5,9H,2-4H2,1H3.
What are the key properties of 3-butyl-4-hydroxy-1,3-thiazol-2-one?
3-butyl-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 173.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 56631257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).