4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline

C15H9F3N2S — CID 107935455

IUPAC4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(-c3ccc(F)c(F)c3F)n2)cc1
InChIInChI=1S/C15H9F3N2S/c16-11-6-5-10(13(17)14(11)18)15-20-12(7-21-15)8-1-3-9(19)4-2-8/h1-7H,19H2
InChIKeyRGWYTWQQOJJXQQ-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.48
Rot. Bonds2

About 4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline

4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline (PubChem CID 107935455) has the molecular formula C15H9F3N2S and a molecular weight of 306.31 g/mol. Its IUPAC name is 4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline
PubChem CID107935455
Molecular FormulaC15H9F3N2S
Molecular Weight306.31 g/mol
Exact Mass306.04
IUPAC Name4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(-c3ccc(F)c(F)c3F)n2)cc1
InChIInChI=1S/C15H9F3N2S/c16-11-6-5-10(13(17)14(11)18)15-20-12(7-21-15)8-1-3-9(19)4-2-8/h1-7H,19H2
InChIKeyRGWYTWQQOJJXQQ-UHFFFAOYSA-N
XLogP4.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,4-trifluorophenyl)aniline
CID 62965800
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667850
4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
CID 62501412
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
4-[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 107915325
4-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 103083651
4-[2-(4-aminophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 43667845
3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667884
4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
CID 43667849
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 163504277
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650205

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline (CID 107935455) is 4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline is Nc1ccc(-c2csc(-c3ccc(F)c(F)c3F)n2)cc1.
What is the InChIKey of 4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is RGWYTWQQOJJXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2S/c16-11-6-5-10(13(17)14(11)18)15-20-12(7-21-15)8-1-3-9(19)4-2-8/h1-7H,19H2.
What are the key properties of 4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline?
4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 306.31 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 107935455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).