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

C15H25N5S — CID 63795058

IUPAC1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCC(N)Cc1c(N2CCC(N(C)C)C2)nc2sccn12
InChIInChI=1S/C15H25N5S/c1-4-11(16)9-13-14(17-15-20(13)7-8-21-15)19-6-5-12(10-19)18(2)3/h7-8,11-12H,4-6,9-10,16H2,1-3H3
InChIKeyQASNLNHNMUSTSW-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.82
Rot. Bonds5

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

1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63795058) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63795058
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCC(N)Cc1c(N2CCC(N(C)C)C2)nc2sccn12
InChIInChI=1S/C15H25N5S/c1-4-11(16)9-13-14(17-15-20(13)7-8-21-15)19-6-5-12(10-19)18(2)3/h7-8,11-12H,4-6,9-10,16H2,1-3H3
InChIKeyQASNLNHNMUSTSW-UHFFFAOYSA-N
XLogP1.82
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63785740
1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 79183887
1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine
CID 107084284
1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63794903
1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63795542
5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55234864
1-[5-(2-aminopropyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464392
1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63815377
1-[6-(3-ethoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63817268
5-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63816546
1-(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-amine
CID 63785604
5-(2-aminobutyl)-N-(cyclopropylmethyl)-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63941095

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine (CID 63795058) is 1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine is CCC(N)Cc1c(N2CCC(N(C)C)C2)nc2sccn12.
What is the InChIKey of 1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is QASNLNHNMUSTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-4-11(16)9-13-14(17-15-20(13)7-8-21-15)19-6-5-12(10-19)18(2)3/h7-8,11-12H,4-6,9-10,16H2,1-3H3.
What are the key properties of 1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 307.47 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63795058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).