4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile

C17H10F3N3O2S — CID 25110544

IUPAC4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1C(F)(F)F
InChIInChI=1S/C17H10F3N3O2S/c18-17(19,20)13-5-10(2-1-9(13)7-21)22-16-23-14(8-26-16)12-4-3-11(24)6-15(12)25/h1-6,8,24-25H,(H,22,23)
InChIKeyKZWUKANMYHSJLO-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.86
Rot. Bonds3

About 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile

4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 25110544) has the molecular formula C17H10F3N3O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile
PubChem CID25110544
Molecular FormulaC17H10F3N3O2S
Molecular Weight377.35 g/mol
Exact Mass377.04
IUPAC Name4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1C(F)(F)F
InChIInChI=1S/C17H10F3N3O2S/c18-17(19,20)13-5-10(2-1-9(13)7-21)22-16-23-14(8-26-16)12-4-3-11(24)6-15(12)25/h1-6,8,24-25H,(H,22,23)
InChIKeyKZWUKANMYHSJLO-UHFFFAOYSA-N
XLogP4.86
TPSA89.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile (CID 25110544) is 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1C(F)(F)F.
What is the InChIKey of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is KZWUKANMYHSJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2S/c18-17(19,20)13-5-10(2-1-9(13)7-21)22-16-23-14(8-26-16)12-4-3-11(24)6-15(12)25/h1-6,8,24-25H,(H,22,23).
What are the key properties of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile?
4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 377.35 g/mol, XLogP of 4.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 25110544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).