1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine

C15H23N3S — CID 55237980

IUPAC1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine
SMILESCCC(N)Cc1c(SC(C)(C)C)nc2ccccn12
InChIInChI=1S/C15H23N3S/c1-5-11(16)10-12-14(19-15(2,3)4)17-13-8-6-7-9-18(12)13/h6-9,11H,5,10,16H2,1-4H3
InChIKeyKKNXXYBUFRZVNU-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.50
Rot. Bonds4

About 1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine

1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine (PubChem CID 55237980) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine
PubChem CID55237980
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine
SMILESCCC(N)Cc1c(SC(C)(C)C)nc2ccccn12
InChIInChI=1S/C15H23N3S/c1-5-11(16)10-12-14(19-15(2,3)4)17-13-8-6-7-9-18(12)13/h6-9,11H,5,10,16H2,1-4H3
InChIKeyKKNXXYBUFRZVNU-UHFFFAOYSA-N
XLogP3.50
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine?
The IUPAC name of 1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine (CID 55237980) is 1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine.
What is the SMILES notation for 1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine?
The canonical SMILES for 1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine is CCC(N)Cc1c(SC(C)(C)C)nc2ccccn12.
What is the InChIKey of 1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine?
The InChIKey is KKNXXYBUFRZVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-5-11(16)10-12-14(19-15(2,3)4)17-13-8-6-7-9-18(12)13/h6-9,11H,5,10,16H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine?
1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine has a molecular weight of 277.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine is sourced from PubChem (CID 55237980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).