cyclobutyl(1,2-thiazol-3-yl)methanone

C8H9NOS — CID 130693406

IUPACcyclobutyl(1,2-thiazol-3-yl)methanone
SMILESO=C(c1ccsn1)C1CCC1
InChIInChI=1S/C8H9NOS/c10-8(6-2-1-3-6)7-4-5-11-9-7/h4-6H,1-3H2
InChIKeyHVUIMTLLFZRNSD-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.13
Rot. Bonds2

About cyclobutyl(1,2-thiazol-3-yl)methanone

cyclobutyl(1,2-thiazol-3-yl)methanone (PubChem CID 130693406) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is cyclobutyl(1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(1,2-thiazol-3-yl)methanone
PubChem CID130693406
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Namecyclobutyl(1,2-thiazol-3-yl)methanone
SMILESO=C(c1ccsn1)C1CCC1
InChIInChI=1S/C8H9NOS/c10-8(6-2-1-3-6)7-4-5-11-9-7/h4-6H,1-3H2
InChIKeyHVUIMTLLFZRNSD-UHFFFAOYSA-N
XLogP2.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methylpiperidin-3-yl)-(1,2-thiazol-3-yl)methanone
CID 130899247
2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one
CID 130682365
N-(1,2-thiazol-3-yl)cyclohexanecarbohydrazide
CID 89487963
(1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone
CID 130971362
cycloheptyl-(5-fluoro-2-pyridinyl)methanone
CID 82931790
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone
CID 115811428
cycloheptyl-(2-methylpyrimidin-4-yl)methanone
CID 82931984
(3-chlorothiophen-2-yl)-cyclopentylmethanone
CID 80530065
(2-bromothiophen-3-yl)-cyclopentylmethanone
CID 164654275
cyclobutyl-(2,6-dimethylphenyl)methanone
CID 24724132
cyclopentyl-(3-ethylthiophen-2-yl)methanone
CID 114962290

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(1,2-thiazol-3-yl)methanone?
The IUPAC name of cyclobutyl(1,2-thiazol-3-yl)methanone (CID 130693406) is cyclobutyl(1,2-thiazol-3-yl)methanone.
What is the SMILES notation for cyclobutyl(1,2-thiazol-3-yl)methanone?
The canonical SMILES for cyclobutyl(1,2-thiazol-3-yl)methanone is O=C(c1ccsn1)C1CCC1.
What is the InChIKey of cyclobutyl(1,2-thiazol-3-yl)methanone?
The InChIKey is HVUIMTLLFZRNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-8(6-2-1-3-6)7-4-5-11-9-7/h4-6H,1-3H2.
What are the key properties of cyclobutyl(1,2-thiazol-3-yl)methanone?
cyclobutyl(1,2-thiazol-3-yl)methanone has a molecular weight of 167.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 130693406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).