4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C16H17N3OS — CID 2470878

IUPAC4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(-c3cc4ccccc4o3)cs2)CC1
InChIInChI=1S/C16H17N3OS/c1-18-6-8-19(9-7-18)16-17-13(11-21-16)15-10-12-4-2-3-5-14(12)20-15/h2-5,10-11H,6-9H2,1H3
InChIKeyPXZMNOPHXVTGKE-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.31
Rot. Bonds2

About 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 2470878) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID2470878
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(-c3cc4ccccc4o3)cs2)CC1
InChIInChI=1S/C16H17N3OS/c1-18-6-8-19(9-7-18)16-17-13(11-21-16)15-10-12-4-2-3-5-14(12)20-15/h2-5,10-11H,6-9H2,1H3
InChIKeyPXZMNOPHXVTGKE-UHFFFAOYSA-N
XLogP3.31
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-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 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 2470878) is 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is CN1CCN(c2nc(-c3cc4ccccc4o3)cs2)CC1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is PXZMNOPHXVTGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-18-6-8-19(9-7-18)16-17-13(11-21-16)15-10-12-4-2-3-5-14(12)20-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 299.40 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 2470878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).