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

C13H16N2S — CID 119085657

IUPAC2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline
SMILESCC(C)Cc1ncc(-c2ccccc2N)s1
InChIInChI=1S/C13H16N2S/c1-9(2)7-13-15-8-12(16-13)10-5-3-4-6-11(10)14/h3-6,8-9H,7,14H2,1-2H3
InChIKeyGEEUVIPUKMXOII-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.59
Rot. Bonds3

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

2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline (PubChem CID 119085657) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline
PubChem CID119085657
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline
SMILESCC(C)Cc1ncc(-c2ccccc2N)s1
InChIInChI=1S/C13H16N2S/c1-9(2)7-13-15-8-12(16-13)10-5-3-4-6-11(10)14/h3-6,8-9H,7,14H2,1-2H3
InChIKeyGEEUVIPUKMXOII-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.59
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]aniline?
The IUPAC name of 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline (CID 119085657) is 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline.
What is the SMILES notation for 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline?
The canonical SMILES for 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline is CC(C)Cc1ncc(-c2ccccc2N)s1.
What is the InChIKey of 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline?
The InChIKey is GEEUVIPUKMXOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9(2)7-13-15-8-12(16-13)10-5-3-4-6-11(10)14/h3-6,8-9H,7,14H2,1-2H3.
What are the key properties of 2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline?
2-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline has a molecular weight of 232.35 g/mol, XLogP of 3.59, 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]aniline is sourced from PubChem (CID 119085657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).