2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol

C9H13NOS — CID 130620479

IUPAC2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol
SMILESCC1(C)CCC1(O)c1ccsn1
InChIInChI=1S/C9H13NOS/c1-8(2)4-5-9(8,11)7-3-6-12-10-7/h3,6,11H,4-5H2,1-2H3
InChIKeyZKDOBXGRFQUHJM-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.15
Rot. Bonds1

About 2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol

2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol (PubChem CID 130620479) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol
PubChem CID130620479
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol
SMILESCC1(C)CCC1(O)c1ccsn1
InChIInChI=1S/C9H13NOS/c1-8(2)4-5-9(8,11)7-3-6-12-10-7/h3,6,11H,4-5H2,1-2H3
InChIKeyZKDOBXGRFQUHJM-UHFFFAOYSA-N
XLogP2.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594
2-Ethyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002598
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599
Dicyclopropyl(1,2-thiazol-3-yl)methanol
CID 130604879
2,2-Dimethyl-1-(1,2-thiazol-3-yl)cyclopentan-1-ol
CID 130604902

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol (CID 130620479) is 2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol is CC1(C)CCC1(O)c1ccsn1.
What is the InChIKey of 2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol?
The InChIKey is ZKDOBXGRFQUHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-8(2)4-5-9(8,11)7-3-6-12-10-7/h3,6,11H,4-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol?
2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol has a molecular weight of 183.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 130620479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).