5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

C12H20N4S — CID 55234864

IUPAC5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(N)Cc1c(N(C)CC)nc2sccn12
InChIInChI=1S/C12H20N4S/c1-4-9(13)8-10-11(15(3)5-2)14-12-16(10)6-7-17-12/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyUEWJBXQZDCCQIO-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.13
Rot. Bonds5

About 5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 55234864) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID55234864
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(N)Cc1c(N(C)CC)nc2sccn12
InChIInChI=1S/C12H20N4S/c1-4-9(13)8-10-11(15(3)5-2)14-12-16(10)6-7-17-12/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyUEWJBXQZDCCQIO-UHFFFAOYSA-N
XLogP2.13
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63816546
5-(2-aminobutyl)-N-(cyclopropylmethyl)-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63941095
5-[(tert-butylamino)methyl]-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55148570
1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 79183887
1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63795058
5-(2-aminopropyl)-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63785647
1-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63785740
[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476005
1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63815377
5-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63815676
5-(2-aminopropyl)-N-methyl-N-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63815102
5-(2-aminopropyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 63784988

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 55234864) is 5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is CCC(N)Cc1c(N(C)CC)nc2sccn12.
What is the InChIKey of 5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is UEWJBXQZDCCQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-4-9(13)8-10-11(15(3)5-2)14-12-16(10)6-7-17-12/h6-7,9H,4-5,8,13H2,1-3H3.
What are the key properties of 5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 252.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 55234864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).