1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol

C20H17F6N3OS — CID 87535517

IUPAC1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
SMILESOC(Cc1ncc(CC2(C(F)(F)F)CC2)[nH]1)(c1ccc(-c2cnsc2)cc1)C(F)(F)F
InChIInChI=1S/C20H17F6N3OS/c21-19(22,23)17(5-6-17)7-15-10-27-16(29-15)8-18(30,20(24,25)26)14-3-1-12(2-4-14)13-9-28-31-11-13/h1-4,9-11,30H,5-8H2,(H,27,29)
InChIKeyYEQGAYRDDKLBEK-UHFFFAOYSA-N
MW461.43 g/mol
LogP5.41
Rot. Bonds6

About 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol

1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol (PubChem CID 87535517) has the molecular formula C20H17F6N3OS and a molecular weight of 461.43 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
PubChem CID87535517
Molecular FormulaC20H17F6N3OS
Molecular Weight461.43 g/mol
Exact Mass461.10
IUPAC Name1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
SMILESOC(Cc1ncc(CC2(C(F)(F)F)CC2)[nH]1)(c1ccc(-c2cnsc2)cc1)C(F)(F)F
InChIInChI=1S/C20H17F6N3OS/c21-19(22,23)17(5-6-17)7-15-10-27-16(29-15)8-18(30,20(24,25)26)14-3-1-12(2-4-14)13-9-28-31-11-13/h1-4,9-11,30H,5-8H2,(H,27,29)
InChIKeyYEQGAYRDDKLBEK-UHFFFAOYSA-N
XLogP5.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.43
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol (CID 87535517) is 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol is OC(Cc1ncc(CC2(C(F)(F)F)CC2)[nH]1)(c1ccc(-c2cnsc2)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
The InChIKey is YEQGAYRDDKLBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6N3OS/c21-19(22,23)17(5-6-17)7-15-10-27-16(29-15)8-18(30,20(24,25)26)14-3-1-12(2-4-14)13-9-28-31-11-13/h1-4,9-11,30H,5-8H2,(H,27,29).
What are the key properties of 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol?
1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol has a molecular weight of 461.43 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[4-(1,2-thiazol-4-yl)phenyl]-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 87535517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).