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

C14H15F3N2OS — CID 58496054

IUPAC[4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(Nc2cccc(C(F)(F)F)c2)sc1CO
InChIInChI=1S/C14H15F3N2OS/c1-8(2)12-11(7-20)21-13(19-12)18-10-5-3-4-9(6-10)14(15,16)17/h3-6,8,20H,7H2,1-2H3,(H,18,19)
InChIKeyBNXFFFCRGMNQGB-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.52
Rot. Bonds4

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

[4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol (PubChem CID 58496054) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is [4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
PubChem CID58496054
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name[4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(Nc2cccc(C(F)(F)F)c2)sc1CO
InChIInChI=1S/C14H15F3N2OS/c1-8(2)12-11(7-20)21-13(19-12)18-10-5-3-4-9(6-10)14(15,16)17/h3-6,8,20H,7H2,1-2H3,(H,18,19)
InChIKeyBNXFFFCRGMNQGB-UHFFFAOYSA-N
XLogP4.52
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol (CID 58496054) is [4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol is CC(C)c1nc(Nc2cccc(C(F)(F)F)c2)sc1CO.
What is the InChIKey of [4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
The InChIKey is BNXFFFCRGMNQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-8(2)12-11(7-20)21-13(19-12)18-10-5-3-4-9(6-10)14(15,16)17/h3-6,8,20H,7H2,1-2H3,(H,18,19).
What are the key properties of [4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol?
[4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol has a molecular weight of 316.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 58496054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).