4,5-ditert-butyl-1,3-thiazol-2-amine

C11H20N2S — CID 131164167

IUPAC4,5-ditert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1C(C)(C)C
InChIInChI=1S/C11H20N2S/c1-10(2,3)7-8(11(4,5)6)14-9(12)13-7/h1-6H3,(H2,12,13)
InChIKeyPEJVWSIWWOVWHO-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.32
Rot. Bonds

About 4,5-ditert-butyl-1,3-thiazol-2-amine

4,5-ditert-butyl-1,3-thiazol-2-amine (PubChem CID 131164167) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 4,5-ditert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-ditert-butyl-1,3-thiazol-2-amine
PubChem CID131164167
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name4,5-ditert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1C(C)(C)C
InChIInChI=1S/C11H20N2S/c1-10(2,3)7-8(11(4,5)6)14-9(12)13-7/h1-6H3,(H2,12,13)
InChIKeyPEJVWSIWWOVWHO-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1,3-thiazol-2-amine?
The IUPAC name of 4,5-ditert-butyl-1,3-thiazol-2-amine (CID 131164167) is 4,5-ditert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-ditert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-ditert-butyl-1,3-thiazol-2-amine is CC(C)(C)c1nc(N)sc1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-1,3-thiazol-2-amine?
The InChIKey is PEJVWSIWWOVWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-10(2,3)7-8(11(4,5)6)14-9(12)13-7/h1-6H3,(H2,12,13).
What are the key properties of 4,5-ditert-butyl-1,3-thiazol-2-amine?
4,5-ditert-butyl-1,3-thiazol-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 131164167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).