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

C17H18N2S2 — CID 22473952

IUPAC3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCC1=C(c2ccc3scc(C)c3c2)N2CCN=C2S1
InChIInChI=1S/C17H18N2S2/c1-3-4-15-16(19-8-7-18-17(19)21-15)12-5-6-14-13(9-12)11(2)10-20-14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyUXKPAXHCWBSLTN-UHFFFAOYSA-N
MW314.48 g/mol
LogP5.10
Rot. Bonds3

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

3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473952) has the molecular formula C17H18N2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473952
Molecular FormulaC17H18N2S2
Molecular Weight314.48 g/mol
Exact Mass314.09
IUPAC Name3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCC1=C(c2ccc3scc(C)c3c2)N2CCN=C2S1
InChIInChI=1S/C17H18N2S2/c1-3-4-15-16(19-8-7-18-17(19)21-15)12-5-6-14-13(9-12)11(2)10-20-14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyUXKPAXHCWBSLTN-UHFFFAOYSA-N
XLogP5.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473952) is 3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCCC1=C(c2ccc3scc(C)c3c2)N2CCN=C2S1.
What is the InChIKey of 3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is UXKPAXHCWBSLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S2/c1-3-4-15-16(19-8-7-18-17(19)21-15)12-5-6-14-13(9-12)11(2)10-20-14/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 314.48 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-benzothiophen-5-yl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).