3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline

C11H9F3N2S — CID 11043429

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline
SMILESCc1nc(-c2cc(N)cc(C(F)(F)F)c2)cs1
InChIInChI=1S/C11H9F3N2S/c1-6-16-10(5-17-6)7-2-8(11(12,13)14)4-9(15)3-7/h2-5H,15H2,1H3
InChIKeyRXLWUBFSCYPFPR-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.72
Rot. Bonds1

About 3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline

3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline (PubChem CID 11043429) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline
PubChem CID11043429
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline
SMILESCc1nc(-c2cc(N)cc(C(F)(F)F)c2)cs1
InChIInChI=1S/C11H9F3N2S/c1-6-16-10(5-17-6)7-2-8(11(12,13)14)4-9(15)3-7/h2-5H,15H2,1H3
InChIKeyRXLWUBFSCYPFPR-UHFFFAOYSA-N
XLogP3.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.72
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 3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline (CID 11043429) is 3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline is Cc1nc(-c2cc(N)cc(C(F)(F)F)c2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline?
The InChIKey is RXLWUBFSCYPFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c1-6-16-10(5-17-6)7-2-8(11(12,13)14)4-9(15)3-7/h2-5H,15H2,1H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline?
3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline has a molecular weight of 258.27 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 11043429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).