1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol

C10H14BrNO2S — CID 106874125

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol
SMILESCOC1CCCC(O)(c2nc(Br)cs2)C1
InChIInChI=1S/C10H14BrNO2S/c1-14-7-3-2-4-10(13,5-7)9-12-8(11)6-15-9/h6-7,13H,2-5H2,1H3
InChIKeyMEDYACRHYYJAQR-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.68
Rot. Bonds2

About 1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol

1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol (PubChem CID 106874125) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol
PubChem CID106874125
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol
SMILESCOC1CCCC(O)(c2nc(Br)cs2)C1
InChIInChI=1S/C10H14BrNO2S/c1-14-7-3-2-4-10(13,5-7)9-12-8(11)6-15-9/h6-7,13H,2-5H2,1H3
InChIKeyMEDYACRHYYJAQR-UHFFFAOYSA-N
XLogP2.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol
CID 114684364
1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol
CID 114684314
7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 114684411
3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 106873361
3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 106874064
1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 114684453
3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 106873976
4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole
CID 151187913
3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 106874108
1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
CID 106874129
4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole
CID 172916098
1-cyclobutyl-3-methoxycyclohexan-1-ol
CID 106873805

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol (CID 106874125) is 1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol is COC1CCCC(O)(c2nc(Br)cs2)C1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol?
The InChIKey is MEDYACRHYYJAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-14-7-3-2-4-10(13,5-7)9-12-8(11)6-15-9/h6-7,13H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol?
1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol has a molecular weight of 292.20 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol is sourced from PubChem (CID 106874125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).