3-propan-2-yl-1,3-thiazol-2-one

C6H9NOS — CID 89103066

IUPAC3-propan-2-yl-1,3-thiazol-2-one
SMILESCC(C)n1ccsc1=O
InChIInChI=1S/C6H9NOS/c1-5(2)7-3-4-9-6(7)8/h3-5H,1-2H3
InChIKeyQIZLNYPOMATDIF-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.49
Rot. Bonds1

About 3-propan-2-yl-1,3-thiazol-2-one

3-propan-2-yl-1,3-thiazol-2-one (PubChem CID 89103066) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 3-propan-2-yl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1,3-thiazol-2-one
PubChem CID89103066
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name3-propan-2-yl-1,3-thiazol-2-one
SMILESCC(C)n1ccsc1=O
InChIInChI=1S/C6H9NOS/c1-5(2)7-3-4-9-6(7)8/h3-5H,1-2H3
InChIKeyQIZLNYPOMATDIF-UHFFFAOYSA-N
XLogP1.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,3-thiazol-2-one?
The IUPAC name of 3-propan-2-yl-1,3-thiazol-2-one (CID 89103066) is 3-propan-2-yl-1,3-thiazol-2-one.
What is the SMILES notation for 3-propan-2-yl-1,3-thiazol-2-one?
The canonical SMILES for 3-propan-2-yl-1,3-thiazol-2-one is CC(C)n1ccsc1=O.
What is the InChIKey of 3-propan-2-yl-1,3-thiazol-2-one?
The InChIKey is QIZLNYPOMATDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-5(2)7-3-4-9-6(7)8/h3-5H,1-2H3.
What are the key properties of 3-propan-2-yl-1,3-thiazol-2-one?
3-propan-2-yl-1,3-thiazol-2-one has a molecular weight of 143.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,3-thiazol-2-one is sourced from PubChem (CID 89103066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).