N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine

C20H28N4S — CID 122157324

IUPACN-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(CNCc2c(C)nc3sc(C)cn23)cc1
InChIInChI=1S/C20H28N4S/c1-5-23(6-2)14-18-9-7-17(8-10-18)11-21-12-19-16(4)22-20-24(19)13-15(3)25-20/h7-10,13,21H,5-6,11-12,14H2,1-4H3
InChIKeyRSIUKBUSDACVBO-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.14
Rot. Bonds8

About N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine

N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine (PubChem CID 122157324) has the molecular formula C20H28N4S and a molecular weight of 356.54 g/mol. Its IUPAC name is N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
PubChem CID122157324
Molecular FormulaC20H28N4S
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC NameN-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(CNCc2c(C)nc3sc(C)cn23)cc1
InChIInChI=1S/C20H28N4S/c1-5-23(6-2)14-18-9-7-17(8-10-18)11-21-12-19-16(4)22-20-24(19)13-15(3)25-20/h7-10,13,21H,5-6,11-12,14H2,1-4H3
InChIKeyRSIUKBUSDACVBO-UHFFFAOYSA-N
XLogP4.14
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine (CID 122157324) is N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine is CCN(CC)Cc1ccc(CNCc2c(C)nc3sc(C)cn23)cc1.
What is the InChIKey of N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine?
The InChIKey is RSIUKBUSDACVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4S/c1-5-23(6-2)14-18-9-7-17(8-10-18)11-21-12-19-16(4)22-20-24(19)13-15(3)25-20/h7-10,13,21H,5-6,11-12,14H2,1-4H3.
What are the key properties of N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine?
N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine has a molecular weight of 356.54 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 122157324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).