4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one

C8H11NO2S — CID 58514863

IUPAC4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one
SMILESCc1cnc(C(=O)CCCO)s1
InChIInChI=1S/C8H11NO2S/c1-6-5-9-8(12-6)7(11)3-2-4-10/h5,10H,2-4H2,1H3
InChIKeyVDWFADKOHMIYKN-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.41
Rot. Bonds4

About 4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one

4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one (PubChem CID 58514863) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one
PubChem CID58514863
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one
SMILESCc1cnc(C(=O)CCCO)s1
InChIInChI=1S/C8H11NO2S/c1-6-5-9-8(12-6)7(11)3-2-4-10/h5,10H,2-4H2,1H3
InChIKeyVDWFADKOHMIYKN-UHFFFAOYSA-N
XLogP1.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one (CID 58514863) is 4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one is Cc1cnc(C(=O)CCCO)s1.
What is the InChIKey of 4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one?
The InChIKey is VDWFADKOHMIYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-5-9-8(12-6)7(11)3-2-4-10/h5,10H,2-4H2,1H3.
What are the key properties of 4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one?
4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one has a molecular weight of 185.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one is sourced from PubChem (CID 58514863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).