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

C8H9NOS — CID 66689203

IUPAC3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one
SMILESCc1cc(C2CC(=O)C2)ns1
InChIInChI=1S/C8H9NOS/c1-5-2-8(9-11-5)6-3-7(10)4-6/h2,6H,3-4H2,1H3
InChIKeyKPLOCKYAJIMPQB-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.90
Rot. Bonds1

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

3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one (PubChem CID 66689203) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one
PubChem CID66689203
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one
SMILESCc1cc(C2CC(=O)C2)ns1
InChIInChI=1S/C8H9NOS/c1-5-2-8(9-11-5)6-3-7(10)4-6/h2,6H,3-4H2,1H3
InChIKeyKPLOCKYAJIMPQB-UHFFFAOYSA-N
XLogP1.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one?
The IUPAC name of 3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one (CID 66689203) is 3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one.
What is the SMILES notation for 3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one?
The canonical SMILES for 3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one is Cc1cc(C2CC(=O)C2)ns1.
What is the InChIKey of 3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one?
The InChIKey is KPLOCKYAJIMPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-5-2-8(9-11-5)6-3-7(10)4-6/h2,6H,3-4H2,1H3.
What are the key properties of 3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one?
3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one has a molecular weight of 167.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2-thiazol-3-yl)cyclobutan-1-one is sourced from PubChem (CID 66689203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).