N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C18H21N5OS — CID 164617998

IUPACN,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCN(CC)CCc1nnc(-c2c(C)nc3sc4ccccc4n23)o1
InChIInChI=1S/C18H21N5OS/c1-4-22(5-2)11-10-15-20-21-17(24-15)16-12(3)19-18-23(16)13-8-6-7-9-14(13)25-18/h6-9H,4-5,10-11H2,1-3H3
InChIKeyIAHIWDZLYGGWDY-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.79
Rot. Bonds6

About N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 164617998) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID164617998
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCN(CC)CCc1nnc(-c2c(C)nc3sc4ccccc4n23)o1
InChIInChI=1S/C18H21N5OS/c1-4-22(5-2)11-10-15-20-21-17(24-15)16-12(3)19-18-23(16)13-8-6-7-9-14(13)25-18/h6-9H,4-5,10-11H2,1-3H3
InChIKeyIAHIWDZLYGGWDY-UHFFFAOYSA-N
XLogP3.79
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 164617998) is N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CCN(CC)CCc1nnc(-c2c(C)nc3sc4ccccc4n23)o1.
What is the InChIKey of N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is IAHIWDZLYGGWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-4-22(5-2)11-10-15-20-21-17(24-15)16-12(3)19-18-23(16)13-8-6-7-9-14(13)25-18/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 355.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 164617998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).