1-(1,3-thiazol-5-yl)propan-1-one

C6H7NOS — CID 54522425

IUPAC1-(1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1cncs1
InChIInChI=1S/C6H7NOS/c1-2-5(8)6-3-7-4-9-6/h3-4H,2H2,1H3
InChIKeyYQTHHOKITGPQEI-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.74
Rot. Bonds2

About 1-(1,3-thiazol-5-yl)propan-1-one

1-(1,3-thiazol-5-yl)propan-1-one (PubChem CID 54522425) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,3-thiazol-5-yl)propan-1-one
PubChem CID54522425
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name1-(1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1cncs1
InChIInChI=1S/C6H7NOS/c1-2-5(8)6-3-7-4-9-6/h3-4H,2H2,1H3
InChIKeyYQTHHOKITGPQEI-UHFFFAOYSA-N
XLogP1.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-(1,3-thiazol-5-yl)propan-1-one (CID 54522425) is 1-(1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(1,3-thiazol-5-yl)propan-1-one is CCC(=O)c1cncs1.
What is the InChIKey of 1-(1,3-thiazol-5-yl)propan-1-one?
The InChIKey is YQTHHOKITGPQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-2-5(8)6-3-7-4-9-6/h3-4H,2H2,1H3.
What are the key properties of 1-(1,3-thiazol-5-yl)propan-1-one?
1-(1,3-thiazol-5-yl)propan-1-one has a molecular weight of 141.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 54522425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).