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

C12H19NOS — CID 22572942

IUPAC4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one
SMILESCC(C)C(=O)CCc1ncsc1C(C)C
InChIInChI=1S/C12H19NOS/c1-8(2)11(14)6-5-10-12(9(3)4)15-7-13-10/h7-9H,5-6H2,1-4H3
InChIKeyUWLAHKPZCUTNJW-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.42
Rot. Bonds5

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

4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one (PubChem CID 22572942) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one
PubChem CID22572942
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one
SMILESCC(C)C(=O)CCc1ncsc1C(C)C
InChIInChI=1S/C12H19NOS/c1-8(2)11(14)6-5-10-12(9(3)4)15-7-13-10/h7-9H,5-6H2,1-4H3
InChIKeyUWLAHKPZCUTNJW-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one?
The IUPAC name of 4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one (CID 22572942) is 4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one?
The canonical SMILES for 4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one is CC(C)C(=O)CCc1ncsc1C(C)C.
What is the InChIKey of 4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one?
The InChIKey is UWLAHKPZCUTNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-8(2)11(14)6-5-10-12(9(3)4)15-7-13-10/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one?
4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-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 4-methyl-1-(5-propan-2-yl-1,3-thiazol-4-yl)pentan-3-one is sourced from PubChem (CID 22572942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).