3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C16H14N2S2 — CID 22473738

IUPAC3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESc1cc(C2=C(C3CC3)SC3=NCCN32)c2ccsc2c1
InChIInChI=1S/C16H14N2S2/c1-2-12(11-6-9-19-13(11)3-1)14-15(10-4-5-10)20-16-17-7-8-18(14)16/h1-3,6,9-10H,4-5,7-8H2
InChIKeyIZUJWXFAFDQLLQ-UHFFFAOYSA-N
MW298.44 g/mol
LogP4.40
Rot. Bonds2

About 3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473738) has the molecular formula C16H14N2S2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473738
Molecular FormulaC16H14N2S2
Molecular Weight298.44 g/mol
Exact Mass298.06
IUPAC Name3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESc1cc(C2=C(C3CC3)SC3=NCCN32)c2ccsc2c1
InChIInChI=1S/C16H14N2S2/c1-2-12(11-6-9-19-13(11)3-1)14-15(10-4-5-10)20-16-17-7-8-18(14)16/h1-3,6,9-10H,4-5,7-8H2
InChIKeyIZUJWXFAFDQLLQ-UHFFFAOYSA-N
XLogP4.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473738) is 3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is c1cc(C2=C(C3CC3)SC3=NCCN32)c2ccsc2c1.
What is the InChIKey of 3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is IZUJWXFAFDQLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S2/c1-2-12(11-6-9-19-13(11)3-1)14-15(10-4-5-10)20-16-17-7-8-18(14)16/h1-3,6,9-10H,4-5,7-8H2.
What are the key properties of 3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 298.44 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-4-yl)-2-cyclopropyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).