(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol

C11H7BrF3NOS — CID 57326019

IUPAC(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1ncsc1Br
InChIInChI=1S/C11H7BrF3NOS/c12-10-8(16-5-18-10)9(17)6-1-3-7(4-2-6)11(13,14)15/h1-5,9,17H
InChIKeyMDHNUEMVPHHYAD-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.01
Rot. Bonds2

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

(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 57326019) has the molecular formula C11H7BrF3NOS and a molecular weight of 338.15 g/mol. Its IUPAC name is (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID57326019
Molecular FormulaC11H7BrF3NOS
Molecular Weight338.15 g/mol
Exact Mass336.94
IUPAC Name(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1ncsc1Br
InChIInChI=1S/C11H7BrF3NOS/c12-10-8(16-5-18-10)9(17)6-1-3-7(4-2-6)11(13,14)15/h1-5,9,17H
InChIKeyMDHNUEMVPHHYAD-UHFFFAOYSA-N
XLogP4.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol (CID 57326019) is (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)c1ncsc1Br.
What is the InChIKey of (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is MDHNUEMVPHHYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NOS/c12-10-8(16-5-18-10)9(17)6-1-3-7(4-2-6)11(13,14)15/h1-5,9,17H.
What are the key properties of (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 338.15 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 57326019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).