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

C10H7F3N2S — CID 126650176

IUPAC2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1-c1nccs1
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)6-1-2-8(14)7(5-6)9-15-3-4-16-9/h1-5H,14H2
InChIKeyMKGAZAMIFPGZFY-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.41
Rot. Bonds1

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

2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline (PubChem CID 126650176) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline
PubChem CID126650176
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1-c1nccs1
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)6-1-2-8(14)7(5-6)9-15-3-4-16-9/h1-5H,14H2
InChIKeyMKGAZAMIFPGZFY-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.41
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-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline (CID 126650176) is 2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)cc1-c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline?
The InChIKey is MKGAZAMIFPGZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c11-10(12,13)6-1-2-8(14)7(5-6)9-15-3-4-16-9/h1-5H,14H2.
What are the key properties of 2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline?
2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline has a molecular weight of 244.24 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 126650176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).