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

C15H14N2S2 — CID 22473735

IUPAC2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1=C(c2cccc3c(C)csc23)N2CCN=C2S1
InChIInChI=1S/C15H14N2S2/c1-9-8-18-14-11(9)4-3-5-12(14)13-10(2)19-15-16-6-7-17(13)15/h3-5,8H,6-7H2,1-2H3
InChIKeyQABHGBBCIMUCMM-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.32
Rot. Bonds1

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

2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473735) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473735
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1=C(c2cccc3c(C)csc23)N2CCN=C2S1
InChIInChI=1S/C15H14N2S2/c1-9-8-18-14-11(9)4-3-5-12(14)13-10(2)19-15-16-6-7-17(13)15/h3-5,8H,6-7H2,1-2H3
InChIKeyQABHGBBCIMUCMM-UHFFFAOYSA-N
XLogP4.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473735) is 2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC1=C(c2cccc3c(C)csc23)N2CCN=C2S1.
What is the InChIKey of 2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is QABHGBBCIMUCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-9-8-18-14-11(9)4-3-5-12(14)13-10(2)19-15-16-6-7-17(13)15/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 286.43 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).