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

C25H26F4N2O3S — CID 10279185

IUPAC[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol
SMILESOC(c1ncc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)s1)C1CCCCC1
InChIInChI=1S/C25H26F4N2O3S/c26-24(27)33-19-7-6-17(13-20(19)34-25(28)29)18(12-15-8-10-30-11-9-15)21-14-31-23(35-21)22(32)16-4-2-1-3-5-16/h6-11,13-14,16,18,22,24-25,32H,1-5,12H2
InChIKeyJEHWVGJTWOCBCZ-UHFFFAOYSA-N
MW510.55 g/mol
LogP6.73
Rot. Bonds10

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

[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol (PubChem CID 10279185) has the molecular formula C25H26F4N2O3S and a molecular weight of 510.55 g/mol. Its IUPAC name is [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol.

Molecular Properties

Compound Name[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol
PubChem CID10279185
Molecular FormulaC25H26F4N2O3S
Molecular Weight510.55 g/mol
Exact Mass510.16
IUPAC Name[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol
SMILESOC(c1ncc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)s1)C1CCCCC1
InChIInChI=1S/C25H26F4N2O3S/c26-24(27)33-19-7-6-17(13-20(19)34-25(28)29)18(12-15-8-10-30-11-9-15)21-14-31-23(35-21)22(32)16-4-2-1-3-5-16/h6-11,13-14,16,18,22,24-25,32H,1-5,12H2
InChIKeyJEHWVGJTWOCBCZ-UHFFFAOYSA-N
XLogP6.73
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-[5-[1-[3,4-Bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-1,3-thiazol-2-yl]propan-2-ol
CID 9890965
2-[5-[1-[3-Cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-1,3-thiazol-2-yl]propan-2-ol
CID 10115627

Frequently Asked Questions

What is the IUPAC name of [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol?
The IUPAC name of [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol (CID 10279185) is [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol.
What is the SMILES notation for [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol?
The canonical SMILES for [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol is OC(c1ncc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)s1)C1CCCCC1.
What is the InChIKey of [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol?
The InChIKey is JEHWVGJTWOCBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N2O3S/c26-24(27)33-19-7-6-17(13-20(19)34-25(28)29)18(12-15-8-10-30-11-9-15)21-14-31-23(35-21)22(32)16-4-2-1-3-5-16/h6-11,13-14,16,18,22,24-25,32H,1-5,12H2.
What are the key properties of [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol?
[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol has a molecular weight of 510.55 g/mol, XLogP of 6.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-cyclohexylmethanol is sourced from PubChem (CID 10279185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).