[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

C19H18N2O3S — CID 16670522

IUPAC[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1c(C(=O)N2CCC(C(=O)c3nccs3)CC2)oc2ccccc12
InChIInChI=1S/C19H18N2O3S/c1-12-14-4-2-3-5-15(14)24-17(12)19(23)21-9-6-13(7-10-21)16(22)18-20-8-11-25-18/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyGRMNTRZLXIUFAC-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.93
Rot. Bonds3

About [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 16670522) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID16670522
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1c(C(=O)N2CCC(C(=O)c3nccs3)CC2)oc2ccccc12
InChIInChI=1S/C19H18N2O3S/c1-12-14-4-2-3-5-15(14)24-17(12)19(23)21-9-6-13(7-10-21)16(22)18-20-8-11-25-18/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyGRMNTRZLXIUFAC-UHFFFAOYSA-N
XLogP3.93
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-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 [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (CID 16670522) is [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is Cc1c(C(=O)N2CCC(C(=O)c3nccs3)CC2)oc2ccccc12.
What is the InChIKey of [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is GRMNTRZLXIUFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-14-4-2-3-5-15(14)24-17(12)19(23)21-9-6-13(7-10-21)16(22)18-20-8-11-25-18/h2-5,8,11,13H,6-7,9-10H2,1H3.
What are the key properties of [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 354.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 16670522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).