3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine

C13H21N3S — CID 82068628

IUPAC3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCC(C)(C)c1nc2scc(C(C)(C)C)n2c1N
InChIInChI=1S/C13H21N3S/c1-12(2,3)8-7-17-11-15-9(13(4,5)6)10(14)16(8)11/h7H,14H2,1-6H3
InChIKeyKCVKJHLLYRQPFQ-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.57
Rot. Bonds

About 3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine

3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 82068628) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID82068628
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCC(C)(C)c1nc2scc(C(C)(C)C)n2c1N
InChIInChI=1S/C13H21N3S/c1-12(2,3)8-7-17-11-15-9(13(4,5)6)10(14)16(8)11/h7H,14H2,1-6H3
InChIKeyKCVKJHLLYRQPFQ-UHFFFAOYSA-N
XLogP3.57
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine (CID 82068628) is 3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine is CC(C)(C)c1nc2scc(C(C)(C)C)n2c1N.
What is the InChIKey of 3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is KCVKJHLLYRQPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-12(2,3)8-7-17-11-15-9(13(4,5)6)10(14)16(8)11/h7H,14H2,1-6H3.
What are the key properties of 3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine?
3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 251.40 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 82068628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).