(3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol

C17H12F3NO2S — CID 46948455

IUPAC(3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
SMILESCOc1cc(F)ccc1-c1csc(C(O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C17H12F3NO2S/c1-23-15-7-10(18)3-4-11(15)14-8-24-17(21-14)16(22)9-2-5-12(19)13(20)6-9/h2-8,16,22H,1H3
InChIKeyCHYHIAVZSOSSHK-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.32
Rot. Bonds4

About (3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol

(3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 46948455) has the molecular formula C17H12F3NO2S and a molecular weight of 351.35 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
PubChem CID46948455
Molecular FormulaC17H12F3NO2S
Molecular Weight351.35 g/mol
Exact Mass351.05
IUPAC Name(3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
SMILESCOc1cc(F)ccc1-c1csc(C(O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C17H12F3NO2S/c1-23-15-7-10(18)3-4-11(15)14-8-24-17(21-14)16(22)9-2-5-12(19)13(20)6-9/h2-8,16,22H,1H3
InChIKeyCHYHIAVZSOSSHK-UHFFFAOYSA-N
XLogP4.32
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol (CID 46948455) is (3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol is COc1cc(F)ccc1-c1csc(C(O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is CHYHIAVZSOSSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2S/c1-23-15-7-10(18)3-4-11(15)14-8-24-17(21-14)16(22)9-2-5-12(19)13(20)6-9/h2-8,16,22H,1H3.
What are the key properties of (3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
(3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 351.35 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46948455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).