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

C9H13NOS — CID 58514700

IUPAC1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one
SMILESCCCCC(=O)c1ncc(C)s1
InChIInChI=1S/C9H13NOS/c1-3-4-5-8(11)9-10-6-7(2)12-9/h6H,3-5H2,1-2H3
InChIKeyYHIUHTVNKLGOJU-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.82
Rot. Bonds4

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

1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one (PubChem CID 58514700) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one
PubChem CID58514700
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one
SMILESCCCCC(=O)c1ncc(C)s1
InChIInChI=1S/C9H13NOS/c1-3-4-5-8(11)9-10-6-7(2)12-9/h6H,3-5H2,1-2H3
InChIKeyYHIUHTVNKLGOJU-UHFFFAOYSA-N
XLogP2.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one (CID 58514700) is 1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one is CCCCC(=O)c1ncc(C)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one?
The InChIKey is YHIUHTVNKLGOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-4-5-8(11)9-10-6-7(2)12-9/h6H,3-5H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one?
1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one has a molecular weight of 183.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)pentan-1-one is sourced from PubChem (CID 58514700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).