1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol

C13H11BrF3NOS — CID 62689324

IUPAC1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(Br)cc2C(F)(F)F)sc1C(C)O
InChIInChI=1S/C13H11BrF3NOS/c1-6-11(7(2)19)20-12(18-6)9-4-3-8(14)5-10(9)13(15,16)17/h3-5,7,19H,1-2H3
InChIKeyVRCWCYYHNHKRPW-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.95
Rot. Bonds2

About 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol

1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 62689324) has the molecular formula C13H11BrF3NOS and a molecular weight of 366.20 g/mol. Its IUPAC name is 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID62689324
Molecular FormulaC13H11BrF3NOS
Molecular Weight366.20 g/mol
Exact Mass364.97
IUPAC Name1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(Br)cc2C(F)(F)F)sc1C(C)O
InChIInChI=1S/C13H11BrF3NOS/c1-6-11(7(2)19)20-12(18-6)9-4-3-8(14)5-10(9)13(15,16)17/h3-5,7,19H,1-2H3
InChIKeyVRCWCYYHNHKRPW-UHFFFAOYSA-N
XLogP4.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol (CID 62689324) is 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(-c2ccc(Br)cc2C(F)(F)F)sc1C(C)O.
What is the InChIKey of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is VRCWCYYHNHKRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NOS/c1-6-11(7(2)19)20-12(18-6)9-4-3-8(14)5-10(9)13(15,16)17/h3-5,7,19H,1-2H3.
What are the key properties of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 366.20 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62689324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).