3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C15H14N2OS2 — CID 22473659

IUPAC3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1cc(C2=C(C)SC3=NCCN32)c2sccc2c1
InChIInChI=1S/C15H14N2OS2/c1-9-13(17-5-4-16-15(17)20-9)12-8-11(18-2)7-10-3-6-19-14(10)12/h3,6-8H,4-5H2,1-2H3
InChIKeyRDIGNWNLBUMNBN-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.02
Rot. Bonds2

About 3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473659) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473659
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1cc(C2=C(C)SC3=NCCN32)c2sccc2c1
InChIInChI=1S/C15H14N2OS2/c1-9-13(17-5-4-16-15(17)20-9)12-8-11(18-2)7-10-3-6-19-14(10)12/h3,6-8H,4-5H2,1-2H3
InChIKeyRDIGNWNLBUMNBN-UHFFFAOYSA-N
XLogP4.02
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473659) is 3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is COc1cc(C2=C(C)SC3=NCCN32)c2sccc2c1.
What is the InChIKey of 3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is RDIGNWNLBUMNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-9-13(17-5-4-16-15(17)20-9)12-8-11(18-2)7-10-3-6-19-14(10)12/h3,6-8H,4-5H2,1-2H3.
What are the key properties of 3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 302.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).