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

C14H14N2S2 — CID 83085510

IUPAC2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc(-c2cn3c4c(sc3n2)CCCC4)s1
InChIInChI=1S/C14H14N2S2/c1-9-6-7-12(17-9)10-8-16-11-4-2-3-5-13(11)18-14(16)15-10/h6-8H,2-5H2,1H3
InChIKeyKJFZTHLUEICFGW-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.31
Rot. Bonds1

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

2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 83085510) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID83085510
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc(-c2cn3c4c(sc3n2)CCCC4)s1
InChIInChI=1S/C14H14N2S2/c1-9-6-7-12(17-9)10-8-16-11-4-2-3-5-13(11)18-14(16)15-10/h6-8H,2-5H2,1H3
InChIKeyKJFZTHLUEICFGW-UHFFFAOYSA-N
XLogP4.31
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 83085510) is 2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is Cc1ccc(-c2cn3c4c(sc3n2)CCCC4)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is KJFZTHLUEICFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-9-6-7-12(17-9)10-8-16-11-4-2-3-5-13(11)18-14(16)15-10/h6-8H,2-5H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 274.41 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 83085510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).