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

C17H10F5NOS — CID 46943701

IUPAC(3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
SMILESOC(c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C17H10F5NOS/c18-12-5-4-10(7-13(12)19)15(24)16-23-14(8-25-16)9-2-1-3-11(6-9)17(20,21)22/h1-8,15,24H
InChIKeyIXCZDEBCUXWWMQ-UHFFFAOYSA-N
MW371.33 g/mol
LogP5.19
Rot. Bonds3

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

(3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 46943701) has the molecular formula C17H10F5NOS and a molecular weight of 371.33 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
PubChem CID46943701
Molecular FormulaC17H10F5NOS
Molecular Weight371.33 g/mol
Exact Mass371.04
IUPAC Name(3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
SMILESOC(c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C17H10F5NOS/c18-12-5-4-10(7-13(12)19)15(24)16-23-14(8-25-16)9-2-1-3-11(6-9)17(20,21)22/h1-8,15,24H
InChIKeyIXCZDEBCUXWWMQ-UHFFFAOYSA-N
XLogP5.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.33
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol
CID 46943788
3-[2-[(3,4-Difluorophenyl)-hydroxymethyl]-1,3-thiazol-4-yl]benzoic acid
CID 46948691
(3-Chlorophenyl)-(4-phenyl-1,3-thiazol-2-yl)methanol
CID 49778262
1-[4-(3-Chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol
CID 49778378
[4-[4-(Dimethylamino)phenyl]-1,3-thiazol-2-yl]-phenylmethanol
CID 49778786
(3-Methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 49786283
(3,4-Difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 46942776
(4-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazol-2-yl)methanol
CID 11484925
1-(3-fluorophenyl)-1-[4-[(E)-styryl]thiazol-2-yl]ethanol
CID 46942445
1-[4-(4-Chlorophenyl)-2-thiazolyl]-2,2,2-trifluoro-1-phenylethanol
CID 46942451
1-[4-[4-(Dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol
CID 46942457
1-(3,4-Difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 46942588

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol (CID 46943701) is (3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol is OC(c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of (3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is IXCZDEBCUXWWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5NOS/c18-12-5-4-10(7-13(12)19)15(24)16-23-14(8-25-16)9-2-1-3-11(6-9)17(20,21)22/h1-8,15,24H.
What are the key properties of (3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
(3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 371.33 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46943701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).