N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine

C13H17N3S — CID 12873981

IUPACN,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
SMILESCCN(CC)c1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C13H17N3S/c1-3-15(4-2)10-5-6-12-11(9-10)16-8-7-14-13(16)17-12/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyIJZAKEJWRDPCSZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.81
Rot. Bonds3

About N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine

N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine (PubChem CID 12873981) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine.

Molecular Properties

Compound NameN,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
PubChem CID12873981
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
SMILESCCN(CC)c1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C13H17N3S/c1-3-15(4-2)10-5-6-12-11(9-10)16-8-7-14-13(16)17-12/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyIJZAKEJWRDPCSZ-UHFFFAOYSA-N
XLogP2.81
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The IUPAC name of N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine (CID 12873981) is N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine.
What is the SMILES notation for N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The canonical SMILES for N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine is CCN(CC)c1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The InChIKey is IJZAKEJWRDPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-15(4-2)10-5-6-12-11(9-10)16-8-7-14-13(16)17-12/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine has a molecular weight of 247.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine is sourced from PubChem (CID 12873981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).