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

C16H16N2OS — CID 848469

IUPAC2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1
InChIInChI=1S/C16H16N2OS/c1-19-12-8-6-11(7-9-12)13-10-18-14-4-2-3-5-15(14)20-16(18)17-13/h6-10H,2-5H2,1H3
InChIKeyRQGHLASMYPXWEW-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.95
Rot. Bonds2

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

2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 848469) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID848469
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1
InChIInChI=1S/C16H16N2OS/c1-19-12-8-6-11(7-9-12)13-10-18-14-4-2-3-5-15(14)20-16(18)17-13/h6-10H,2-5H2,1H3
InChIKeyRQGHLASMYPXWEW-UHFFFAOYSA-N
XLogP3.95
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 848469) is 2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is COc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is RQGHLASMYPXWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-19-12-8-6-11(7-9-12)13-10-18-14-4-2-3-5-15(14)20-16(18)17-13/h6-10H,2-5H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 284.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 848469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).