(6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C22H24N4O4S — CID 66840613

IUPAC(6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESCOc1ccc2c(C)c(C(=O)N3CC(N4CCN(C(=O)c5nccs5)CC4)C3)oc2c1
InChIInChI=1S/C22H24N4O4S/c1-14-17-4-3-16(29-2)11-18(17)30-19(14)21(27)26-12-15(13-26)24-6-8-25(9-7-24)22(28)20-23-5-10-31-20/h3-5,10-11,15H,6-9,12-13H2,1-2H3
InChIKeyQBAWFHALURMSEX-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.49
Rot. Bonds4

About (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

(6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840613) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID66840613
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name(6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESCOc1ccc2c(C)c(C(=O)N3CC(N4CCN(C(=O)c5nccs5)CC4)C3)oc2c1
InChIInChI=1S/C22H24N4O4S/c1-14-17-4-3-16(29-2)11-18(17)30-19(14)21(27)26-12-15(13-26)24-6-8-25(9-7-24)22(28)20-23-5-10-31-20/h3-5,10-11,15H,6-9,12-13H2,1-2H3
InChIKeyQBAWFHALURMSEX-UHFFFAOYSA-N
XLogP2.49
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone 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 (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840613) is (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is COc1ccc2c(C)c(C(=O)N3CC(N4CCN(C(=O)c5nccs5)CC4)C3)oc2c1.
What is the InChIKey of (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is QBAWFHALURMSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-14-17-4-3-16(29-2)11-18(17)30-19(14)21(27)26-12-15(13-26)24-6-8-25(9-7-24)22(28)20-23-5-10-31-20/h3-5,10-11,15H,6-9,12-13H2,1-2H3.
What are the key properties of (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
(6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 440.53 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).