1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one

C15H23NO2S — CID 115787037

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one
SMILESCC(C)(C)c1csc(CC(=O)CCC2CCCO2)n1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)13-10-19-14(16-13)9-11(17)6-7-12-5-4-8-18-12/h10,12H,4-9H2,1-3H3
InChIKeyPLQYNNMLNYWAHE-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.51
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one (PubChem CID 115787037) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one
PubChem CID115787037
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one
SMILESCC(C)(C)c1csc(CC(=O)CCC2CCCO2)n1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)13-10-19-14(16-13)9-11(17)6-7-12-5-4-8-18-12/h10,12H,4-9H2,1-3H3
InChIKeyPLQYNNMLNYWAHE-UHFFFAOYSA-N
XLogP3.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 115786489
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
CID 105015928
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one
CID 79820106
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one
CID 115796077
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutan-2-one
CID 105118448
1-(1,3-benzothiazol-2-yl)-4-(oxan-2-yl)butan-2-one
CID 63951362
1-(4-tert-butyl-1,3-thiazol-2-yl)decan-2-one
CID 115786938
1-(4-ethylphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114963451
N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 97089486
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965269
1-[2-(aminomethyl)cyclohexyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116584612

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one (CID 115787037) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one is CC(C)(C)c1csc(CC(=O)CCC2CCCO2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one?
The InChIKey is PLQYNNMLNYWAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)13-10-19-14(16-13)9-11(17)6-7-12-5-4-8-18-12/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one has a molecular weight of 281.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one is sourced from PubChem (CID 115787037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).