4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one

C11H15NOS — CID 116890297

IUPAC4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
SMILESCC(=O)CCc1csc(C2CCC2)n1
InChIInChI=1S/C11H15NOS/c1-8(13)5-6-10-7-14-11(12-10)9-3-2-4-9/h7,9H,2-6H2,1H3
InChIKeyLITJQWJELATJDF-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.93
Rot. Bonds4

About 4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one

4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one (PubChem CID 116890297) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one.

Molecular Properties

Compound Name4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
PubChem CID116890297
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
SMILESCC(=O)CCc1csc(C2CCC2)n1
InChIInChI=1S/C11H15NOS/c1-8(13)5-6-10-7-14-11(12-10)9-3-2-4-9/h7,9H,2-6H2,1H3
InChIKeyLITJQWJELATJDF-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101
4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
CID 116965847
3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid
CID 116889315
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one
CID 160913974
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087775
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
CID 116888534

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one?
The IUPAC name of 4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one (CID 116890297) is 4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one.
What is the SMILES notation for 4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one?
The canonical SMILES for 4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one is CC(=O)CCc1csc(C2CCC2)n1.
What is the InChIKey of 4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one?
The InChIKey is LITJQWJELATJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(13)5-6-10-7-14-11(12-10)9-3-2-4-9/h7,9H,2-6H2,1H3.
What are the key properties of 4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one?
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one has a molecular weight of 209.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one is sourced from PubChem (CID 116890297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).