[4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol

C14H15F3N2OS — CID 58496121

IUPAC[4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(Nc2cccc(C(F)(F)F)c2)sc1CO
InChIInChI=1S/C14H15F3N2OS/c1-2-4-11-12(8-20)21-13(19-11)18-10-6-3-5-9(7-10)14(15,16)17/h3,5-7,20H,2,4,8H2,1H3,(H,18,19)
InChIKeyAUYURQGYWKKRBE-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.35
Rot. Bonds5

About [4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol

[4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol (PubChem CID 58496121) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is [4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
PubChem CID58496121
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name[4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(Nc2cccc(C(F)(F)F)c2)sc1CO
InChIInChI=1S/C14H15F3N2OS/c1-2-4-11-12(8-20)21-13(19-11)18-10-6-3-5-9(7-10)14(15,16)17/h3,5-7,20H,2,4,8H2,1H3,(H,18,19)
InChIKeyAUYURQGYWKKRBE-UHFFFAOYSA-N
XLogP4.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol (CID 58496121) is [4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol is CCCc1nc(Nc2cccc(C(F)(F)F)c2)sc1CO.
What is the InChIKey of [4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
The InChIKey is AUYURQGYWKKRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-4-11-12(8-20)21-13(19-11)18-10-6-3-5-9(7-10)14(15,16)17/h3,5-7,20H,2,4,8H2,1H3,(H,18,19).
What are the key properties of [4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
[4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol has a molecular weight of 316.35 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 58496121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).