2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

C25H20N2S — CID 11561690

IUPAC2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc2cc(-c3ccc(-c4cn5c6c(sc5n4)CCCC6)cc3)ccc2c1
InChIInChI=1S/C25H20N2S/c1-2-6-20-15-21(14-11-17(20)5-1)18-9-12-19(13-10-18)22-16-27-23-7-3-4-8-24(23)28-25(27)26-22/h1-2,5-6,9-16H,3-4,7-8H2
InChIKeyMDDWCCPFRCLFDM-UHFFFAOYSA-N
MW380.52 g/mol
LogP6.76
Rot. Bonds2

About 2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 11561690) has the molecular formula C25H20N2S and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID11561690
Molecular FormulaC25H20N2S
Molecular Weight380.52 g/mol
Exact Mass380.13
IUPAC Name2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc2cc(-c3ccc(-c4cn5c6c(sc5n4)CCCC6)cc3)ccc2c1
InChIInChI=1S/C25H20N2S/c1-2-6-20-15-21(14-11-17(20)5-1)18-9-12-19(13-10-18)22-16-27-23-7-3-4-8-24(23)28-25(27)26-22/h1-2,5-6,9-16H,3-4,7-8H2
InChIKeyMDDWCCPFRCLFDM-UHFFFAOYSA-N
XLogP6.76
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 11561690) is 2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is c1ccc2cc(-c3ccc(-c4cn5c6c(sc5n4)CCCC6)cc3)ccc2c1.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is MDDWCCPFRCLFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2S/c1-2-6-20-15-21(14-11-17(20)5-1)18-9-12-19(13-10-18)22-16-27-23-7-3-4-8-24(23)28-25(27)26-22/h1-2,5-6,9-16H,3-4,7-8H2.
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 380.52 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 11561690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).