cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol

C9H13NOS — CID 130604889

IUPACcyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol
SMILESCc1cc(C(O)C2CCC2)sn1
InChIInChI=1S/C9H13NOS/c1-6-5-8(12-10-6)9(11)7-3-2-4-7/h5,7,9,11H,2-4H2,1H3
InChIKeyLPXUPXKGUTWYGW-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.29
Rot. Bonds2

About cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol

cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol (PubChem CID 130604889) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Namecyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol
PubChem CID130604889
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Namecyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol
SMILESCc1cc(C(O)C2CCC2)sn1
InChIInChI=1S/C9H13NOS/c1-6-5-8(12-10-6)9(11)7-3-2-4-7/h5,7,9,11H,2-4H2,1H3
InChIKeyLPXUPXKGUTWYGW-UHFFFAOYSA-N
XLogP2.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Methyl-1,2-thiazol-3-yl)ethanol
CID 45085688
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
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
(3-t-Butyl-isothiazol-5-yl)methanol
CID 57736297
(5-Isopropyl-isothiazol-3-yl)-methanol
CID 68731053
3-Ethyl-5-isothiazolemethanol
CID 89816508
(1-Tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 90420068
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-(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

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol?
The IUPAC name of cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol (CID 130604889) is cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol?
The canonical SMILES for cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol is Cc1cc(C(O)C2CCC2)sn1.
What is the InChIKey of cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol?
The InChIKey is LPXUPXKGUTWYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6-5-8(12-10-6)9(11)7-3-2-4-7/h5,7,9,11H,2-4H2,1H3.
What are the key properties of cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol?
cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol has a molecular weight of 183.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 130604889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).