[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol

C18H14F3NO3S — CID 91649156

IUPAC[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(F)cc(CO)c1OCc1nc(-c2c(F)cccc2F)cs1
InChIInChI=1S/C18H14F3NO3S/c19-12-4-10(6-23)18(11(5-12)7-24)25-8-16-22-15(9-26-16)17-13(20)2-1-3-14(17)21/h1-5,9,23-24H,6-8H2
InChIKeyJYRPKFHSMPDKCP-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.79
Rot. Bonds6

About [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol

[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol (PubChem CID 91649156) has the molecular formula C18H14F3NO3S and a molecular weight of 381.38 g/mol. Its IUPAC name is [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
PubChem CID91649156
Molecular FormulaC18H14F3NO3S
Molecular Weight381.38 g/mol
Exact Mass381.06
IUPAC Name[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(F)cc(CO)c1OCc1nc(-c2c(F)cccc2F)cs1
InChIInChI=1S/C18H14F3NO3S/c19-12-4-10(6-23)18(11(5-12)7-24)25-8-16-22-15(9-26-16)17-13(20)2-1-3-14(17)21/h1-5,9,23-24H,6-8H2
InChIKeyJYRPKFHSMPDKCP-UHFFFAOYSA-N
XLogP3.79
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol with MolForge

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Related Compounds

[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methanol
CID 115956396
[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 112788149
[3-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methanol
CID 112613201
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 99823533
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
CID 115956158
N-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
CID 62543225
[2-[(3-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanol
CID 112749411
N-[[3-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 115955093
4-tert-butyl-2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,3-thiazole
CID 115956684
[5-fluoro-3-(hydroxymethyl)-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 112788151
2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole
CID 97057726
[3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 112613013

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol (CID 91649156) is [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol is OCc1cc(F)cc(CO)c1OCc1nc(-c2c(F)cccc2F)cs1.
What is the InChIKey of [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The InChIKey is JYRPKFHSMPDKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3S/c19-12-4-10(6-23)18(11(5-12)7-24)25-8-16-22-15(9-26-16)17-13(20)2-1-3-14(17)21/h1-5,9,23-24H,6-8H2.
What are the key properties of [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol has a molecular weight of 381.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 91649156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).