2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol

C18H12F4N6OS — CID 71143751

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2nccs2)cn1
InChIInChI=1S/C18H12F4N6OS/c19-12-2-3-13(14(20)7-12)17(29,9-28-10-25-26-27-28)18(21,22)15-4-1-11(8-24-15)16-23-5-6-30-16/h1-8,10,29H,9H2
InChIKeyPCFXSTSPDBJBJX-UHFFFAOYSA-N
MW436.39 g/mol
LogP3.15
Rot. Bonds6

About 2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol (PubChem CID 71143751) has the molecular formula C18H12F4N6OS and a molecular weight of 436.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol
PubChem CID71143751
Molecular FormulaC18H12F4N6OS
Molecular Weight436.39 g/mol
Exact Mass436.07
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2nccs2)cn1
InChIInChI=1S/C18H12F4N6OS/c19-12-2-3-13(14(20)7-12)17(29,9-28-10-25-26-27-28)18(21,22)15-4-1-11(8-24-15)16-23-5-6-30-16/h1-8,10,29H,9H2
InChIKeyPCFXSTSPDBJBJX-UHFFFAOYSA-N
XLogP3.15
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol (CID 71143751) is 2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol is OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2nccs2)cn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is PCFXSTSPDBJBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N6OS/c19-12-2-3-13(14(20)7-12)17(29,9-28-10-25-26-27-28)18(21,22)15-4-1-11(8-24-15)16-23-5-6-30-16/h1-8,10,29H,9H2.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 436.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 71143751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).