N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

C20H28N4OS — CID 42591621

IUPACN-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCc1ccc(CN2CCC(CN(C)Cc3c(C)nc4sccn34)CC2)o1
InChIInChI=1S/C20H28N4OS/c1-15-4-5-18(25-15)13-23-8-6-17(7-9-23)12-22(3)14-19-16(2)21-20-24(19)10-11-26-20/h4-5,10-11,17H,6-9,12-14H2,1-3H3
InChIKeyACEVKVOZMFEFET-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.95
Rot. Bonds6

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

N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine (PubChem CID 42591621) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
PubChem CID42591621
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCc1ccc(CN2CCC(CN(C)Cc3c(C)nc4sccn34)CC2)o1
InChIInChI=1S/C20H28N4OS/c1-15-4-5-18(25-15)13-23-8-6-17(7-9-23)12-22(3)14-19-16(2)21-20-24(19)10-11-26-20/h4-5,10-11,17H,6-9,12-14H2,1-3H3
InChIKeyACEVKVOZMFEFET-UHFFFAOYSA-N
XLogP3.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine (CID 42591621) is N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is Cc1ccc(CN2CCC(CN(C)Cc3c(C)nc4sccn34)CC2)o1.
What is the InChIKey of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The InChIKey is ACEVKVOZMFEFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-15-4-5-18(25-15)13-23-8-6-17(7-9-23)12-22(3)14-19-16(2)21-20-24(19)10-11-26-20/h4-5,10-11,17H,6-9,12-14H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine has a molecular weight of 372.54 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 42591621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).