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

C16H15FN2S — CID 83092009

IUPAC2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCc1c(-c2ccc(F)cc2)nc2sc3c(n12)CCCC3
InChIInChI=1S/C16H15FN2S/c1-10-15(11-6-8-12(17)9-7-11)18-16-19(10)13-4-2-3-5-14(13)20-16/h6-9H,2-5H2,1H3
InChIKeyURDOOEXJLPIVPW-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.39
Rot. Bonds1

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

2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 83092009) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID83092009
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCc1c(-c2ccc(F)cc2)nc2sc3c(n12)CCCC3
InChIInChI=1S/C16H15FN2S/c1-10-15(11-6-8-12(17)9-7-11)18-16-19(10)13-4-2-3-5-14(13)20-16/h6-9H,2-5H2,1H3
InChIKeyURDOOEXJLPIVPW-UHFFFAOYSA-N
XLogP4.39
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 83092009) is 2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is Cc1c(-c2ccc(F)cc2)nc2sc3c(n12)CCCC3.
What is the InChIKey of 2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is URDOOEXJLPIVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-10-15(11-6-8-12(17)9-7-11)18-16-19(10)13-4-2-3-5-14(13)20-16/h6-9H,2-5H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 286.38 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 83092009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).