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

C16H26N4S — CID 63795542

IUPAC1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1c(N2CCC(C)CC2C)nc2sccn12
InChIInChI=1S/C16H26N4S/c1-4-13(17)10-14-15(18-16-20(14)7-8-21-16)19-6-5-11(2)9-12(19)3/h7-8,11-13H,4-6,9-10,17H2,1-3H3
InChIKeySPUATFWHYLGKAI-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.30
Rot. Bonds4

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

1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine (PubChem CID 63795542) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
PubChem CID63795542
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1c(N2CCC(C)CC2C)nc2sccn12
InChIInChI=1S/C16H26N4S/c1-4-13(17)10-14-15(18-16-20(14)7-8-21-16)19-6-5-11(2)9-12(19)3/h7-8,11-13H,4-6,9-10,17H2,1-3H3
InChIKeySPUATFWHYLGKAI-UHFFFAOYSA-N
XLogP3.30
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The IUPAC name of 1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine (CID 63795542) is 1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The canonical SMILES for 1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine is CCC(N)Cc1c(N2CCC(C)CC2C)nc2sccn12.
What is the InChIKey of 1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The InChIKey is SPUATFWHYLGKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-4-13(17)10-14-15(18-16-20(14)7-8-21-16)19-6-5-11(2)9-12(19)3/h7-8,11-13H,4-6,9-10,17H2,1-3H3.
What are the key properties of 1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine has a molecular weight of 306.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63795542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).