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

C12H14N2S — CID 105473203

IUPAC2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline
SMILESCC(C)c1scnc1-c1ccccc1N
InChIInChI=1S/C12H14N2S/c1-8(2)12-11(14-7-15-12)9-5-3-4-6-10(9)13/h3-8H,13H2,1-2H3
InChIKeyFZPZEZPDUPCUOK-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.52
Rot. Bonds2

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

2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline (PubChem CID 105473203) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline
PubChem CID105473203
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline
SMILESCC(C)c1scnc1-c1ccccc1N
InChIInChI=1S/C12H14N2S/c1-8(2)12-11(14-7-15-12)9-5-3-4-6-10(9)13/h3-8H,13H2,1-2H3
InChIKeyFZPZEZPDUPCUOK-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.52
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-(5-propan-2-yl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline (CID 105473203) is 2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline is CC(C)c1scnc1-c1ccccc1N.
What is the InChIKey of 2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline?
The InChIKey is FZPZEZPDUPCUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-8(2)12-11(14-7-15-12)9-5-3-4-6-10(9)13/h3-8H,13H2,1-2H3.
What are the key properties of 2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline?
2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline has a molecular weight of 218.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 105473203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).