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

C10H15NOS — CID 10845613

IUPAC4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one
SMILESCC(C)(C)CCC(=O)c1nccs1
InChIInChI=1S/C10H15NOS/c1-10(2,3)5-4-8(12)9-11-6-7-13-9/h6-7H,4-5H2,1-3H3
InChIKeyLXMZYMBNPJPREW-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.15
Rot. Bonds3

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

4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one (PubChem CID 10845613) 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-2-yl)pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one
PubChem CID10845613
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one
SMILESCC(C)(C)CCC(=O)c1nccs1
InChIInChI=1S/C10H15NOS/c1-10(2,3)5-4-8(12)9-11-6-7-13-9/h6-7H,4-5H2,1-3H3
InChIKeyLXMZYMBNPJPREW-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one (CID 10845613) is 4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one is CC(C)(C)CCC(=O)c1nccs1.
What is the InChIKey of 4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one?
The InChIKey is LXMZYMBNPJPREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(2,3)5-4-8(12)9-11-6-7-13-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one?
4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one has a molecular weight of 197.30 g/mol, XLogP of 3.15, 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-2-yl)pentan-1-one is sourced from PubChem (CID 10845613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).