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

C11H20N2S — CID 62077197

IUPAC2,4-ditert-butyl-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(C(C)(C)C)c(N)s1
InChIInChI=1S/C11H20N2S/c1-10(2,3)7-8(12)14-9(13-7)11(4,5)6/h12H2,1-6H3
InChIKeyXANIJIOTTJXWIE-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.32
Rot. Bonds

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

2,4-ditert-butyl-1,3-thiazol-5-amine (PubChem CID 62077197) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2,4-ditert-butyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2,4-ditert-butyl-1,3-thiazol-5-amine
PubChem CID62077197
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2,4-ditert-butyl-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(C(C)(C)C)c(N)s1
InChIInChI=1S/C11H20N2S/c1-10(2,3)7-8(12)14-9(13-7)11(4,5)6/h12H2,1-6H3
InChIKeyXANIJIOTTJXWIE-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 2,4-ditert-butyl-1,3-thiazol-5-amine?
The IUPAC name of 2,4-ditert-butyl-1,3-thiazol-5-amine (CID 62077197) is 2,4-ditert-butyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2,4-ditert-butyl-1,3-thiazol-5-amine?
The canonical SMILES for 2,4-ditert-butyl-1,3-thiazol-5-amine is CC(C)(C)c1nc(C(C)(C)C)c(N)s1.
What is the InChIKey of 2,4-ditert-butyl-1,3-thiazol-5-amine?
The InChIKey is XANIJIOTTJXWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-10(2,3)7-8(12)14-9(13-7)11(4,5)6/h12H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-1,3-thiazol-5-amine?
2,4-ditert-butyl-1,3-thiazol-5-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 2,4-ditert-butyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62077197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).