5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole

C17H11N3OS2 — CID 2999109

IUPAC5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1-c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C17H11N3OS2/c1-10-15(20-6-7-22-17(20)18-10)16-19-12(9-23-16)14-8-11-4-2-3-5-13(11)21-14/h2-9H,1H3
InChIKeyFEINYLFUPSKGMQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP5.24
Rot. Bonds2

About 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole

5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 2999109) has the molecular formula C17H11N3OS2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID2999109
Molecular FormulaC17H11N3OS2
Molecular Weight337.43 g/mol
Exact Mass337.03
IUPAC Name5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1-c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C17H11N3OS2/c1-10-15(20-6-7-22-17(20)18-10)16-19-12(9-23-16)14-8-11-4-2-3-5-13(11)21-14/h2-9H,1H3
InChIKeyFEINYLFUPSKGMQ-UHFFFAOYSA-N
XLogP5.24
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole (CID 2999109) is 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1-c1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is FEINYLFUPSKGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS2/c1-10-15(20-6-7-22-17(20)18-10)16-19-12(9-23-16)14-8-11-4-2-3-5-13(11)21-14/h2-9H,1H3.
What are the key properties of 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 337.43 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 2999109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).