3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol

C17H11ClF4N2OS — CID 71176924

IUPAC3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol
SMILESOC(Cc1cnc(Cl)s1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1
InChIInChI=1S/C17H11ClF4N2OS/c18-15-24-9-11(26-15)8-16(25,12-5-4-10(19)7-13(12)20)17(21,22)14-3-1-2-6-23-14/h1-7,9,25H,8H2
InChIKeyMDZKHANGUFSJAF-UHFFFAOYSA-N
MW402.80 g/mol
LogP4.69
Rot. Bonds5

About 3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol

3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol (PubChem CID 71176924) has the molecular formula C17H11ClF4N2OS and a molecular weight of 402.80 g/mol. Its IUPAC name is 3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol
PubChem CID71176924
Molecular FormulaC17H11ClF4N2OS
Molecular Weight402.80 g/mol
Exact Mass402.02
IUPAC Name3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol
SMILESOC(Cc1cnc(Cl)s1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1
InChIInChI=1S/C17H11ClF4N2OS/c18-15-24-9-11(26-15)8-16(25,12-5-4-10(19)7-13(12)20)17(21,22)14-3-1-2-6-23-14/h1-7,9,25H,8H2
InChIKeyMDZKHANGUFSJAF-UHFFFAOYSA-N
XLogP4.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.80
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol?
The IUPAC name of 3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol (CID 71176924) is 3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol is OC(Cc1cnc(Cl)s1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1.
What is the InChIKey of 3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol?
The InChIKey is MDZKHANGUFSJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N2OS/c18-15-24-9-11(26-15)8-16(25,12-5-4-10(19)7-13(12)20)17(21,22)14-3-1-2-6-23-14/h1-7,9,25H,8H2.
What are the key properties of 3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol?
3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol has a molecular weight of 402.80 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-1,3-thiazol-5-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-1-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 71176924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).