4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one

C14H23NOS — CID 10824779

IUPAC4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one
SMILESCC(C)Cc1nc(C(=O)CCC(C)(C)C)cs1
InChIInChI=1S/C14H23NOS/c1-10(2)8-13-15-11(9-17-13)12(16)6-7-14(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyXSOPBZFKOBSPEN-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.35
Rot. Bonds5

About 4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one

4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one (PubChem CID 10824779) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one
PubChem CID10824779
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one
SMILESCC(C)Cc1nc(C(=O)CCC(C)(C)C)cs1
InChIInChI=1S/C14H23NOS/c1-10(2)8-13-15-11(9-17-13)12(16)6-7-14(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyXSOPBZFKOBSPEN-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-4-yl]butan-1-one
CID 70665471
1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
CID 130328564
1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
CID 138579041
2-Butyl-1-(2-fluoro-1,3-thiazol-4-yl)-2-methylnonan-1-one
CID 146632982
2-Propyl-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]nonan-1-one
CID 150419911
[4-(Trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 166045434
2-Methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-one
CID 91571440
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 105106853
5,5,5-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one
CID 105123358
(3,3-Difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 130909583
(3,3-Difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone
CID 130948600
(2-Fluoro-1-methylcyclopropyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131059169

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one (CID 10824779) is 4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one is CC(C)Cc1nc(C(=O)CCC(C)(C)C)cs1.
What is the InChIKey of 4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one?
The InChIKey is XSOPBZFKOBSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(2)8-13-15-11(9-17-13)12(16)6-7-14(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one?
4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one has a molecular weight of 253.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]pentan-1-one is sourced from PubChem (CID 10824779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).