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

C12H15N3S — CID 12873958

IUPACN-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine
SMILESCC(C)Nc1cccc2c1SC1=NCCN12
InChIInChI=1S/C12H15N3S/c1-8(2)14-9-4-3-5-10-11(9)16-12-13-6-7-15(10)12/h3-5,8,14H,6-7H2,1-2H3
InChIKeyKCAVOAXZBXCKGQ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.79
Rot. Bonds2

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

N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine (PubChem CID 12873958) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine
PubChem CID12873958
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine
SMILESCC(C)Nc1cccc2c1SC1=NCCN12
InChIInChI=1S/C12H15N3S/c1-8(2)14-9-4-3-5-10-11(9)16-12-13-6-7-15(10)12/h3-5,8,14H,6-7H2,1-2H3
InChIKeyKCAVOAXZBXCKGQ-UHFFFAOYSA-N
XLogP2.79
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine?
The IUPAC name of N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine (CID 12873958) is N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine.
What is the SMILES notation for N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine?
The canonical SMILES for N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine is CC(C)Nc1cccc2c1SC1=NCCN12.
What is the InChIKey of N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine?
The InChIKey is KCAVOAXZBXCKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8(2)14-9-4-3-5-10-11(9)16-12-13-6-7-15(10)12/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine?
N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine has a molecular weight of 233.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-amine is sourced from PubChem (CID 12873958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).