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

C10H14BrNOS — CID 114684109

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(c2nc(Br)cs2)CC1
InChIInChI=1S/C10H14BrNOS/c1-7-2-4-10(13,5-3-7)9-12-8(11)6-14-9/h6-7,13H,2-5H2,1H3
InChIKeyLCUWWVNYLAIESH-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.30
Rot. Bonds1

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

1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol (PubChem CID 114684109) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol
PubChem CID114684109
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(c2nc(Br)cs2)CC1
InChIInChI=1S/C10H14BrNOS/c1-7-2-4-10(13,5-3-7)9-12-8(11)6-14-9/h6-7,13H,2-5H2,1H3
InChIKeyLCUWWVNYLAIESH-UHFFFAOYSA-N
XLogP3.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol (CID 114684109) is 1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol is CC1CCC(O)(c2nc(Br)cs2)CC1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol?
The InChIKey is LCUWWVNYLAIESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7-2-4-10(13,5-3-7)9-12-8(11)6-14-9/h6-7,13H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol?
1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol has a molecular weight of 276.20 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 114684109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).