5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

C9H10N2S — CID 19964759

IUPAC5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C9H10N2S/c1-2-4-8-7(3-1)11-6-5-10-9(11)12-8/h5-6H,1-4H2
InChIKeyHFZWUGALEANCIW-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.27
Rot. Bonds

About 5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19964759) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID19964759
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C9H10N2S/c1-2-4-8-7(3-1)11-6-5-10-9(11)12-8/h5-6H,1-4H2
InChIKeyHFZWUGALEANCIW-UHFFFAOYSA-N
XLogP2.27
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 19964759) is 5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is c1cn2c3c(sc2n1)CCCC3.
What is the InChIKey of 5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is HFZWUGALEANCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-4-8-7(3-1)11-6-5-10-9(11)12-8/h5-6H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 178.26 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19964759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).