4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one

C10H15NOS — CID 112642314

IUPAC4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
SMILESCC(C)(C)CC(=O)Cc1cncs1
InChIInChI=1S/C10H15NOS/c1-10(2,3)5-8(12)4-9-6-11-7-13-9/h6-7H,4-5H2,1-3H3
InChIKeyHEQRKMITCQMGRX-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.69
Rot. Bonds3

About 4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one

4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one (PubChem CID 112642314) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
PubChem CID112642314
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
SMILESCC(C)(C)CC(=O)Cc1cncs1
InChIInChI=1S/C10H15NOS/c1-10(2,3)5-8(12)4-9-6-11-7-13-9/h6-7H,4-5H2,1-3H3
InChIKeyHEQRKMITCQMGRX-UHFFFAOYSA-N
XLogP2.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6,6-trimethyl-1-(1,3-thiazol-5-yl)heptan-2-one
CID 115796009
1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642366
3-ethyl-3-hydroxy-1-(1,3-thiazol-5-yl)pentan-2-one
CID 103446921
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-one
CID 112642383
1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642228
1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642259
1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one
CID 116555141
3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642392
1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one
CID 115796129
3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 116747279

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
The IUPAC name of 4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one (CID 112642314) is 4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one.
What is the SMILES notation for 4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
The canonical SMILES for 4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one is CC(C)(C)CC(=O)Cc1cncs1.
What is the InChIKey of 4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
The InChIKey is HEQRKMITCQMGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(2,3)5-8(12)4-9-6-11-7-13-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one has a molecular weight of 197.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one is sourced from PubChem (CID 112642314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).