N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine

C21H28N4S — CID 47060553

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine
SMILESCc1cn2c(CNCCc3ccc(N4CCCCC4)cc3)c(C)nc2s1
InChIInChI=1S/C21H28N4S/c1-16-15-25-20(17(2)23-21(25)26-16)14-22-11-10-18-6-8-19(9-7-18)24-12-4-3-5-13-24/h6-9,15,22H,3-5,10-14H2,1-2H3
InChIKeySULAEFLLNOWDTE-UHFFFAOYSA-N
MW368.55 g/mol
LogP4.34
Rot. Bonds6

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine (PubChem CID 47060553) has the molecular formula C21H28N4S and a molecular weight of 368.55 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine
PubChem CID47060553
Molecular FormulaC21H28N4S
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine
SMILESCc1cn2c(CNCCc3ccc(N4CCCCC4)cc3)c(C)nc2s1
InChIInChI=1S/C21H28N4S/c1-16-15-25-20(17(2)23-21(25)26-16)14-22-11-10-18-6-8-19(9-7-18)24-12-4-3-5-13-24/h6-9,15,22H,3-5,10-14H2,1-2H3
InChIKeySULAEFLLNOWDTE-UHFFFAOYSA-N
XLogP4.34
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine (CID 47060553) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine is Cc1cn2c(CNCCc3ccc(N4CCCCC4)cc3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine?
The InChIKey is SULAEFLLNOWDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4S/c1-16-15-25-20(17(2)23-21(25)26-16)14-22-11-10-18-6-8-19(9-7-18)24-12-4-3-5-13-24/h6-9,15,22H,3-5,10-14H2,1-2H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine has a molecular weight of 368.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine is sourced from PubChem (CID 47060553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).