N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine

C16H26N4S — CID 43476440

IUPACN-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(N2CCCCC2CC)nc2sccn12
InChIInChI=1S/C16H26N4S/c1-3-8-17-12-14-15(18-16-20(14)10-11-21-16)19-9-6-5-7-13(19)4-2/h10-11,13,17H,3-9,12H2,1-2H3
InChIKeyWENQKDPHGBVCRU-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.66
Rot. Bonds6

About N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine

N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine (PubChem CID 43476440) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
PubChem CID43476440
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(N2CCCCC2CC)nc2sccn12
InChIInChI=1S/C16H26N4S/c1-3-8-17-12-14-15(18-16-20(14)10-11-21-16)19-9-6-5-7-13(19)4-2/h10-11,13,17H,3-9,12H2,1-2H3
InChIKeyWENQKDPHGBVCRU-UHFFFAOYSA-N
XLogP3.66
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(2-ethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methoxyethanamine
CID 63060055
1-[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63787125
5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 83055338
[6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 83056287
3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
CID 63608220
N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine
CID 62888980
N-[[6-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476226
2-methyl-N-[[6-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63059960
[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanol
CID 61410760
1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55128569
2-methoxy-N-[(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63059091
N-[[6-(2-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 54882321

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine (CID 43476440) is N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine is CCCNCc1c(N2CCCCC2CC)nc2sccn12.
What is the InChIKey of N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is WENQKDPHGBVCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-3-8-17-12-14-15(18-16-20(14)10-11-21-16)19-9-6-5-7-13(19)4-2/h10-11,13,17H,3-9,12H2,1-2H3.
What are the key properties of N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine?
N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 306.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 43476440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).