2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline

C14H15F3N2S — CID 102291138

IUPAC2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline
SMILESCC(C)Cc1ncc(-c2cc(C(F)(F)F)ccc2N)s1
InChIInChI=1S/C14H15F3N2S/c1-8(2)5-13-19-7-12(20-13)10-6-9(14(15,16)17)3-4-11(10)18/h3-4,6-8H,5,18H2,1-2H3
InChIKeyIHFLRVIBZQDARL-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.61
Rot. Bonds3

About 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline

2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline (PubChem CID 102291138) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline
PubChem CID102291138
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline
SMILESCC(C)Cc1ncc(-c2cc(C(F)(F)F)ccc2N)s1
InChIInChI=1S/C14H15F3N2S/c1-8(2)5-13-19-7-12(20-13)10-6-9(14(15,16)17)3-4-11(10)18/h3-4,6-8H,5,18H2,1-2H3
InChIKeyIHFLRVIBZQDARL-UHFFFAOYSA-N
XLogP4.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline (CID 102291138) is 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline is CC(C)Cc1ncc(-c2cc(C(F)(F)F)ccc2N)s1.
What is the InChIKey of 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline?
The InChIKey is IHFLRVIBZQDARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-8(2)5-13-19-7-12(20-13)10-6-9(14(15,16)17)3-4-11(10)18/h3-4,6-8H,5,18H2,1-2H3.
What are the key properties of 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline?
2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline has a molecular weight of 300.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 102291138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).