3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine

C12H20N2S — CID 104863099

IUPAC3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C12H20N2S/c1-9(7-13-5)6-10-8-15-11(14-10)12(2,3)4/h6,8,13H,7H2,1-5H3
InChIKeyNIKBYKGSBGBGDF-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.06
Rot. Bonds3

About 3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine

3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 104863099) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine
PubChem CID104863099
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C12H20N2S/c1-9(7-13-5)6-10-8-15-11(14-10)12(2,3)4/h6,8,13H,7H2,1-5H3
InChIKeyNIKBYKGSBGBGDF-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine (CID 104863099) is 3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine is CNCC(C)=Cc1csc(C(C)(C)C)n1.
What is the InChIKey of 3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is NIKBYKGSBGBGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(7-13-5)6-10-8-15-11(14-10)12(2,3)4/h6,8,13H,7H2,1-5H3.
What are the key properties of 3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine?
3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 104863099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).