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

C12H10F3NOS — CID 2783005

IUPAC[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CO
InChIInChI=1S/C12H10F3NOS/c1-7-10(6-17)18-11(16-7)8-2-4-9(5-3-8)12(13,14)15/h2-5,17H,6H2,1H3
InChIKeySEHCYQHVWYXBGI-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.63
Rot. Bonds2

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

[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (PubChem CID 2783005) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
PubChem CID2783005
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CO
InChIInChI=1S/C12H10F3NOS/c1-7-10(6-17)18-11(16-7)8-2-4-9(5-3-8)12(13,14)15/h2-5,17H,6H2,1H3
InChIKeySEHCYQHVWYXBGI-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (CID 2783005) is [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CO.
What is the InChIKey of [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is SEHCYQHVWYXBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-7-10(6-17)18-11(16-7)8-2-4-9(5-3-8)12(13,14)15/h2-5,17H,6H2,1H3.
What are the key properties of [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 273.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 2783005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).