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

C11H13N3S — CID 10262876

IUPACN-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
SMILESCCNc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C11H13N3S/c1-2-12-8-3-4-10-9(7-8)14-6-5-13-11(14)15-10/h3-4,7,12H,2,5-6H2,1H3
InChIKeyDUPKOBMHDLECNR-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.40
Rot. Bonds2

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

N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine (PubChem CID 10262876) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
PubChem CID10262876
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
SMILESCCNc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C11H13N3S/c1-2-12-8-3-4-10-9(7-8)14-6-5-13-11(14)15-10/h3-4,7,12H,2,5-6H2,1H3
InChIKeyDUPKOBMHDLECNR-UHFFFAOYSA-N
XLogP2.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The IUPAC name of N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine (CID 10262876) is N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The canonical SMILES for N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine is CCNc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The InChIKey is DUPKOBMHDLECNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-12-8-3-4-10-9(7-8)14-6-5-13-11(14)15-10/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine has a molecular weight of 219.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine is sourced from PubChem (CID 10262876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).