N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine

C11H13N3S — CID 12873984

IUPACN,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine
SMILESCN(C)c1cccc2c1SC1=NCCN12
InChIInChI=1S/C11H13N3S/c1-13(2)8-4-3-5-9-10(8)15-11-12-6-7-14(9)11/h3-5H,6-7H2,1-2H3
InChIKeyOKYXPRMYRRCUKK-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.03
Rot. Bonds1

About N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine

N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine (PubChem CID 12873984) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine
PubChem CID12873984
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine
SMILESCN(C)c1cccc2c1SC1=NCCN12
InChIInChI=1S/C11H13N3S/c1-13(2)8-4-3-5-9-10(8)15-11-12-6-7-14(9)11/h3-5H,6-7H2,1-2H3
InChIKeyOKYXPRMYRRCUKK-UHFFFAOYSA-N
XLogP2.03
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine?
The IUPAC name of N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine (CID 12873984) is N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine?
The canonical SMILES for N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine is CN(C)c1cccc2c1SC1=NCCN12.
What is the InChIKey of N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine?
The InChIKey is OKYXPRMYRRCUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-13(2)8-4-3-5-9-10(8)15-11-12-6-7-14(9)11/h3-5H,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine?
N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine has a molecular weight of 219.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine is sourced from PubChem (CID 12873984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).