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

C17H16N2OS — CID 142131196

IUPAC2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C2=C(C3CC3)SC3=NCCN32)cc2ccoc12
InChIInChI=1S/C17H16N2OS/c1-10-8-13(9-12-4-7-20-15(10)12)14-16(11-2-3-11)21-17-18-5-6-19(14)17/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyHJDOTYJCSKTVPT-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.24
Rot. Bonds2

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

2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 142131196) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID142131196
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C2=C(C3CC3)SC3=NCCN32)cc2ccoc12
InChIInChI=1S/C17H16N2OS/c1-10-8-13(9-12-4-7-20-15(10)12)14-16(11-2-3-11)21-17-18-5-6-19(14)17/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyHJDOTYJCSKTVPT-UHFFFAOYSA-N
XLogP4.24
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 142131196) is 2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is Cc1cc(C2=C(C3CC3)SC3=NCCN32)cc2ccoc12.
What is the InChIKey of 2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is HJDOTYJCSKTVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-10-8-13(9-12-4-7-20-15(10)12)14-16(11-2-3-11)21-17-18-5-6-19(14)17/h4,7-9,11H,2-3,5-6H2,1H3.
What are the key properties of 2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 296.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(7-methyl-1-benzofuran-5-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 142131196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).