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

C6H9NOS — CID 13420869

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one
SMILESCC(=O)CC1=NCCS1
InChIInChI=1S/C6H9NOS/c1-5(8)4-6-7-2-3-9-6/h2-4H2,1H3
InChIKeyWHJUKZVLAVJEJZ-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.11
Rot. Bonds2

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

1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one (PubChem CID 13420869) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one
PubChem CID13420869
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one
SMILESCC(=O)CC1=NCCS1
InChIInChI=1S/C6H9NOS/c1-5(8)4-6-7-2-3-9-6/h2-4H2,1H3
InChIKeyWHJUKZVLAVJEJZ-UHFFFAOYSA-N
XLogP1.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one (CID 13420869) is 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one is CC(=O)CC1=NCCS1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is WHJUKZVLAVJEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-5(8)4-6-7-2-3-9-6/h2-4H2,1H3.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one?
1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 143.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 13420869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).