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

C15H14N2S — CID 760886

IUPAC2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1
InChIInChI=1S/C15H14N2S/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h1-3,6-7,10H,4-5,8-9H2
InChIKeyBMJUSKUKEOQRFS-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.94
Rot. Bonds1

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

2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 760886) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID760886
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1
InChIInChI=1S/C15H14N2S/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h1-3,6-7,10H,4-5,8-9H2
InChIKeyBMJUSKUKEOQRFS-UHFFFAOYSA-N
XLogP3.94
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 760886) is 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1.
What is the InChIKey of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is BMJUSKUKEOQRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 254.36 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 760886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).