N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide

C20H15FN2O2S — CID 71795528

IUPACN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1nc(-c2ccccc2F)sc1CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H15FN2O2S/c1-12-18(26-20(23-12)14-7-3-4-8-15(14)21)11-22-19(24)17-10-13-6-2-5-9-16(13)25-17/h2-10H,11H2,1H3,(H,22,24)
InChIKeyVLIKSUNGRRXVFH-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.93
Rot. Bonds4

About N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide

N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 71795528) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID71795528
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC NameN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1nc(-c2ccccc2F)sc1CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H15FN2O2S/c1-12-18(26-20(23-12)14-7-3-4-8-15(14)21)11-22-19(24)17-10-13-6-2-5-9-16(13)25-17/h2-10H,11H2,1H3,(H,22,24)
InChIKeyVLIKSUNGRRXVFH-UHFFFAOYSA-N
XLogP4.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide 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 N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide (CID 71795528) is N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide is Cc1nc(-c2ccccc2F)sc1CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is VLIKSUNGRRXVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-12-18(26-20(23-12)14-7-3-4-8-15(14)21)11-22-19(24)17-10-13-6-2-5-9-16(13)25-17/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71795528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).