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

C12H9F4NOS — CID 21300955

IUPAC[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2F)sc1CO
InChIInChI=1S/C12H9F4NOS/c1-6-10(5-18)19-11(17-6)8-3-2-7(4-9(8)13)12(14,15)16/h2-4,18H,5H2,1H3
InChIKeyRBCBGDIKRSWCKE-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.77
Rot. Bonds2

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

[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 21300955) has the molecular formula C12H9F4NOS and a molecular weight of 291.27 g/mol. Its IUPAC name is [2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID21300955
Molecular FormulaC12H9F4NOS
Molecular Weight291.27 g/mol
Exact Mass291.03
IUPAC Name[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2F)sc1CO
InChIInChI=1S/C12H9F4NOS/c1-6-10(5-18)19-11(17-6)8-3-2-7(4-9(8)13)12(14,15)16/h2-4,18H,5H2,1H3
InChIKeyRBCBGDIKRSWCKE-UHFFFAOYSA-N
XLogP3.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol (CID 21300955) is [2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(-c2ccc(C(F)(F)F)cc2F)sc1CO.
What is the InChIKey of [2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is RBCBGDIKRSWCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NOS/c1-6-10(5-18)19-11(17-6)8-3-2-7(4-9(8)13)12(14,15)16/h2-4,18H,5H2,1H3.
What are the key properties of [2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol?
[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 291.27 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 21300955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).