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

C9H13NOS — CID 130709735

IUPAC3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
SMILESCc1cc(C2(O)CC(C)C2)sn1
InChIInChI=1S/C9H13NOS/c1-6-4-9(11,5-6)8-3-7(2)10-12-8/h3,6,11H,4-5H2,1-2H3
InChIKeyKNTXUNVJEVLWGM-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.07
Rot. Bonds1

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

3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol (PubChem CID 130709735) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
PubChem CID130709735
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
SMILESCc1cc(C2(O)CC(C)C2)sn1
InChIInChI=1S/C9H13NOS/c1-6-4-9(11,5-6)8-3-7(2)10-12-8/h3,6,11H,4-5H2,1-2H3
InChIKeyKNTXUNVJEVLWGM-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165492038
(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
CID 18759003
4-Hydroxy-4-(3-methyl-isothiazol-5-yl)-cyclohexanone
CID 59556124
2-[3-(4-Methylcyclohexyl)-1,2-thiazol-5-yl]propan-2-ol
CID 132129486
3-Methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 126985729
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
1-(3-Methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 127002581
3-Ethoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
CID 127004477
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol
CID 130604796
(1-Methylsulfanylcyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604836
3-Methoxy-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130604847

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol?
The IUPAC name of 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol (CID 130709735) is 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol?
The canonical SMILES for 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol is Cc1cc(C2(O)CC(C)C2)sn1.
What is the InChIKey of 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol?
The InChIKey is KNTXUNVJEVLWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6-4-9(11,5-6)8-3-7(2)10-12-8/h3,6,11H,4-5H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol?
3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol has a molecular weight of 183.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol is sourced from PubChem (CID 130709735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).