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

C12H19NOS — CID 70064429

IUPAC2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one
SMILESCCC(=O)C(C)Cc1nc(C(C)C)cs1
InChIInChI=1S/C12H19NOS/c1-5-11(14)9(4)6-12-13-10(7-15-12)8(2)3/h7-9H,5-6H2,1-4H3
InChIKeyLAJHSERIAMEYRP-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.42
Rot. Bonds5

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

2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one (PubChem CID 70064429) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one
PubChem CID70064429
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one
SMILESCCC(=O)C(C)Cc1nc(C(C)C)cs1
InChIInChI=1S/C12H19NOS/c1-5-11(14)9(4)6-12-13-10(7-15-12)8(2)3/h7-9H,5-6H2,1-4H3
InChIKeyLAJHSERIAMEYRP-UHFFFAOYSA-N
XLogP3.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-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 2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one?
The IUPAC name of 2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one (CID 70064429) is 2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one.
What is the SMILES notation for 2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one?
The canonical SMILES for 2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one is CCC(=O)C(C)Cc1nc(C(C)C)cs1.
What is the InChIKey of 2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one?
The InChIKey is LAJHSERIAMEYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-5-11(14)9(4)6-12-13-10(7-15-12)8(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one?
2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one has a molecular weight of 225.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one is sourced from PubChem (CID 70064429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).