2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C21H14F10N2O3S — CID 10209877

IUPAC2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ncc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H14F10N2O3S/c22-17(23)35-13-2-1-11(8-14(13)36-18(24)25)12(7-10-3-5-32-6-4-10)15-9-33-16(37-15)19(34,20(26,27)28)21(29,30)31/h1-6,8-9,12,17-18,34H,7H2
InChIKeyRFAXYNXTWDGBHY-UHFFFAOYSA-N
MW564.40 g/mol
LogP6.43
Rot. Bonds9

About 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10209877) has the molecular formula C21H14F10N2O3S and a molecular weight of 564.40 g/mol. Its IUPAC name is 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10209877
Molecular FormulaC21H14F10N2O3S
Molecular Weight564.40 g/mol
Exact Mass564.06
IUPAC Name2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ncc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H14F10N2O3S/c22-17(23)35-13-2-1-11(8-14(13)36-18(24)25)12(7-10-3-5-32-6-4-10)15-9-33-16(37-15)19(34,20(26,27)28)21(29,30)31/h1-6,8-9,12,17-18,34H,7H2
InChIKeyRFAXYNXTWDGBHY-UHFFFAOYSA-N
XLogP6.43
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.40
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

(S)-3-(2-(3-Cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-YL)thiazol-2-YL)ethyl)pyridine 1-oxide
CID 6420180
L-869298
CID 11039077
2-[5-[1-[3-Cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-1,3-thiazol-2-yl]propan-2-ol
CID 10162604
2-[5-[1-[3-Cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10167216
(R)-3-(2-(3-Cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-YL)thiazol-2-YL)ethyl)pyridine 1-oxide
CID 6420181
2-[5-[1-[3-Cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11731453
1-[5-[1-[3,4-Bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridinyl]-1-(1,3-thiazol-2-yl)ethanol
CID 9936981
2-[5-[(1R)-1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)ethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11017241
1-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol
CID 46944159
1-[5-[3-[4-Methoxy-2-(trifluoromethyl)phenyl]-4-pyridinyl]-1,3-thiazol-2-yl]-2-methylpropan-1-one
CID 171356511
4-(3,4-Dimethoxyphenyl)-2-(2-propylpyridin-4-yl)thiazole hydrobromide
CID 44667549
2-(3,4-Dimethoxyphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazole
CID 41481026

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10209877) is 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ncc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is RFAXYNXTWDGBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F10N2O3S/c22-17(23)35-13-2-1-11(8-14(13)36-18(24)25)12(7-10-3-5-32-6-4-10)15-9-33-16(37-15)19(34,20(26,27)28)21(29,30)31/h1-6,8-9,12,17-18,34H,7H2.
What are the key properties of 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 564.40 g/mol, XLogP of 6.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10209877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).