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

C11H15NO2S — CID 115796077

IUPAC4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one
SMILESO=C(CCC1CCCO1)Cc1cncs1
InChIInChI=1S/C11H15NO2S/c13-9(6-11-7-12-8-15-11)3-4-10-2-1-5-14-10/h7-8,10H,1-6H2
InChIKeyLULCDEJOXJTLER-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.21
Rot. Bonds5

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

4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one (PubChem CID 115796077) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one
PubChem CID115796077
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one
SMILESO=C(CCC1CCCO1)Cc1cncs1
InChIInChI=1S/C11H15NO2S/c13-9(6-11-7-12-8-15-11)3-4-10-2-1-5-14-10/h7-8,10H,1-6H2
InChIKeyLULCDEJOXJTLER-UHFFFAOYSA-N
XLogP2.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.21
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-iodophenyl)-4-(oxolan-2-yl)butan-2-one
CID 114974166
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965269
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one
CID 115787037
1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one
CID 115796129
1-(4-ethylphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114963451
1-(1-ethylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965412
1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one
CID 116555141
1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one
CID 114977442
1-(4-bromophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952355
4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-one
CID 114966118
1-(3-chloro-2-fluorophenyl)-4-(oxolan-2-yl)butan-2-one
CID 82802705

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one?
The IUPAC name of 4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one (CID 115796077) is 4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one?
The canonical SMILES for 4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one is O=C(CCC1CCCO1)Cc1cncs1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one?
The InChIKey is LULCDEJOXJTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-9(6-11-7-12-8-15-11)3-4-10-2-1-5-14-10/h7-8,10H,1-6H2.
What are the key properties of 4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one?
4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one has a molecular weight of 225.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one is sourced from PubChem (CID 115796077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).