1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol

C11H13BrF3NOS — CID 129231932

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol
SMILESOC(c1ncc(Br)s1)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H13BrF3NOS/c12-8-6-16-9(18-8)10(17,11(13,14)15)7-4-2-1-3-5-7/h6-7,17H,1-5H2
InChIKeyRLHDYRQSBIVOSK-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.24
Rot. Bonds2

About 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol

1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol (PubChem CID 129231932) has the molecular formula C11H13BrF3NOS and a molecular weight of 344.20 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol
PubChem CID129231932
Molecular FormulaC11H13BrF3NOS
Molecular Weight344.20 g/mol
Exact Mass342.99
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol
SMILESOC(c1ncc(Br)s1)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H13BrF3NOS/c12-8-6-16-9(18-8)10(17,11(13,14)15)7-4-2-1-3-5-7/h6-7,17H,1-5H2
InChIKeyRLHDYRQSBIVOSK-UHFFFAOYSA-N
XLogP4.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol (CID 129231932) is 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol is OC(c1ncc(Br)s1)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol?
The InChIKey is RLHDYRQSBIVOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NOS/c12-8-6-16-9(18-8)10(17,11(13,14)15)7-4-2-1-3-5-7/h6-7,17H,1-5H2.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol?
1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol has a molecular weight of 344.20 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2,2,2-trifluoroethanol is sourced from PubChem (CID 129231932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).