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

C13H15FN2S — CID 102291140

IUPAC2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline
SMILESCC(C)Cc1ncc(-c2ccc(N)c(F)c2)s1
InChIInChI=1S/C13H15FN2S/c1-8(2)5-13-16-7-12(17-13)9-3-4-11(15)10(14)6-9/h3-4,6-8H,5,15H2,1-2H3
InChIKeyDJJXWXFVMHJDDF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.73
Rot. Bonds3

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

2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline (PubChem CID 102291140) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline
PubChem CID102291140
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline
SMILESCC(C)Cc1ncc(-c2ccc(N)c(F)c2)s1
InChIInChI=1S/C13H15FN2S/c1-8(2)5-13-16-7-12(17-13)9-3-4-11(15)10(14)6-9/h3-4,6-8H,5,15H2,1-2H3
InChIKeyDJJXWXFVMHJDDF-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.73
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-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline?
The IUPAC name of 2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline (CID 102291140) is 2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline is CC(C)Cc1ncc(-c2ccc(N)c(F)c2)s1.
What is the InChIKey of 2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline?
The InChIKey is DJJXWXFVMHJDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8(2)5-13-16-7-12(17-13)9-3-4-11(15)10(14)6-9/h3-4,6-8H,5,15H2,1-2H3.
What are the key properties of 2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline?
2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline has a molecular weight of 250.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline is sourced from PubChem (CID 102291140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).