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

C17H12F4N2OS — CID 71144006

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(c1ccc(F)cc1F)(C(F)F)C(c1ccccn1)c1cncs1
InChIInChI=1S/C17H12F4N2OS/c18-10-4-5-11(12(19)7-10)17(24,16(20)21)15(14-8-22-9-25-14)13-3-1-2-6-23-13/h1-9,15-16,24H
InChIKeyVXHKMHUAGBBKHS-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.10
Rot. Bonds5

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

2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 71144006) has the molecular formula C17H12F4N2OS and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID71144006
Molecular FormulaC17H12F4N2OS
Molecular Weight368.36 g/mol
Exact Mass368.06
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(c1ccc(F)cc1F)(C(F)F)C(c1ccccn1)c1cncs1
InChIInChI=1S/C17H12F4N2OS/c18-10-4-5-11(12(19)7-10)17(24,16(20)21)15(14-8-22-9-25-14)13-3-1-2-6-23-13/h1-9,15-16,24H
InChIKeyVXHKMHUAGBBKHS-UHFFFAOYSA-N
XLogP4.10
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol (CID 71144006) is 2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol is OC(c1ccc(F)cc1F)(C(F)F)C(c1ccccn1)c1cncs1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is VXHKMHUAGBBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2OS/c18-10-4-5-11(12(19)7-10)17(24,16(20)21)15(14-8-22-9-25-14)13-3-1-2-6-23-13/h1-9,15-16,24H.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 368.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-3-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 71144006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).