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

C6H9NOS — CID 6428990

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one
SMILESCCC(=O)C1=NCCS1
InChIInChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3
InChIKeyMFQABLFJUQNPAC-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.11
Rot. Bonds2

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

1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one (PubChem CID 6428990) 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-1-one.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one
PubChem CID6428990
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one
SMILESCCC(=O)C1=NCCS1
InChIInChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3
InChIKeyMFQABLFJUQNPAC-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-1-one?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one (CID 6428990) is 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one is CCC(=O)C1=NCCS1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is MFQABLFJUQNPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-2-5(8)6-7-3-4-9-6/h2-4H2,1H3.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one?
1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-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-1-one is sourced from PubChem (CID 6428990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).