1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine

C15H24N4S — CID 79183887

IUPAC1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1c(N2CC(C)C(C)C2)nc2sccn12
InChIInChI=1S/C15H24N4S/c1-4-12(16)7-13-14(17-15-19(13)5-6-20-15)18-8-10(2)11(3)9-18/h5-6,10-12H,4,7-9,16H2,1-3H3
InChIKeyOJVDUTQLHNLZJG-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.77
Rot. Bonds4

About 1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine

1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine (PubChem CID 79183887) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
PubChem CID79183887
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1c(N2CC(C)C(C)C2)nc2sccn12
InChIInChI=1S/C15H24N4S/c1-4-12(16)7-13-14(17-15-19(13)5-6-20-15)18-8-10(2)11(3)9-18/h5-6,10-12H,4,7-9,16H2,1-3H3
InChIKeyOJVDUTQLHNLZJG-UHFFFAOYSA-N
XLogP2.77
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The IUPAC name of 1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine (CID 79183887) is 1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The canonical SMILES for 1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine is CCC(N)Cc1c(N2CC(C)C(C)C2)nc2sccn12.
What is the InChIKey of 1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The InChIKey is OJVDUTQLHNLZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-4-12(16)7-13-14(17-15-19(13)5-6-20-15)18-8-10(2)11(3)9-18/h5-6,10-12H,4,7-9,16H2,1-3H3.
What are the key properties of 1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine has a molecular weight of 292.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine is sourced from PubChem (CID 79183887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).