N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C20H28N4O2S — CID 16677122

IUPACN-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CN(CCCN2CCOCC2)Cc2c(C)nc3sccn23)o1
InChIInChI=1S/C20H28N4O2S/c1-16-4-5-18(26-16)14-23(7-3-6-22-8-11-25-12-9-22)15-19-17(2)21-20-24(19)10-13-27-20/h4-5,10,13H,3,6-9,11-12,14-15H2,1-2H3
InChIKeyPRWRXYJQPHIACP-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.33
Rot. Bonds8

About N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 16677122) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID16677122
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CN(CCCN2CCOCC2)Cc2c(C)nc3sccn23)o1
InChIInChI=1S/C20H28N4O2S/c1-16-4-5-18(26-16)14-23(7-3-6-22-8-11-25-12-9-22)15-19-17(2)21-20-24(19)10-13-27-20/h4-5,10,13H,3,6-9,11-12,14-15H2,1-2H3
InChIKeyPRWRXYJQPHIACP-UHFFFAOYSA-N
XLogP3.33
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 16677122) is N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccc(CN(CCCN2CCOCC2)Cc2c(C)nc3sccn23)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is PRWRXYJQPHIACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-16-4-5-18(26-16)14-23(7-3-6-22-8-11-25-12-9-22)15-19-17(2)21-20-24(19)10-13-27-20/h4-5,10,13H,3,6-9,11-12,14-15H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 388.54 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 16677122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).