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

C18H14F3NO2S — CID 46948490

IUPAC(4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(C(O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1
InChIInChI=1S/C18H14F3NO2S/c1-24-14-7-5-11(6-8-14)16(23)17-22-15(10-25-17)12-3-2-4-13(9-12)18(19,20)21/h2-10,16,23H,1H3
InChIKeyBERXNKZKGGHPBQ-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.92
Rot. Bonds4

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

(4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 46948490) has the molecular formula C18H14F3NO2S and a molecular weight of 365.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
PubChem CID46948490
Molecular FormulaC18H14F3NO2S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name(4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(C(O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1
InChIInChI=1S/C18H14F3NO2S/c1-24-14-7-5-11(6-8-14)16(23)17-22-15(10-25-17)12-3-2-4-13(9-12)18(19,20)21/h2-10,16,23H,1H3
InChIKeyBERXNKZKGGHPBQ-UHFFFAOYSA-N
XLogP4.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Caspase Inhibitor X
CID 608841
4-(4-(4-Methoxyphenyl)thiazol-2-yl)phenol
CID 829532
4-(3,4-Difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 2742375
2,4-Bis(3-Methoxyphenyl)Thiazole
CID 24431784
Benzo[D]thiazol-2-YL(4-methoxyphenyl)methanol
CID 647548
(2E)-2-[cyclohexyl-[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methoxy]iminopropanoic acid
CID 10504337
(4-Methoxyphenyl)-[4-(2-naphthyl)thiazol-2-yl]methanol
CID 46942760
(4-Methoxyphenyl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanol
CID 46943076
(3-Methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 49786283
(4-Fluoro-3-methoxyphenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol
CID 49786457
[4-(4-Fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol
CID 49790936
N,N-diethyl-3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]benzamide
CID 49791135

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of (4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol (CID 46948490) is (4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol is COc1ccc(C(O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is BERXNKZKGGHPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2S/c1-24-14-7-5-11(6-8-14)16(23)17-22-15(10-25-17)12-3-2-4-13(9-12)18(19,20)21/h2-10,16,23H,1H3.
What are the key properties of (4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
(4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 365.38 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46948490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).