2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide

C23H20N2O2S — CID 16650641

IUPAC2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3cc(-c4ccccc4)oc3C)s2)c1
InChIInChI=1S/C23H20N2O2S/c1-15-7-6-8-17(11-15)12-19-14-24-23(28-19)25-22(26)20-13-21(27-16(20)2)18-9-4-3-5-10-18/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)
InChIKeyUWJVPIKJDHTUMZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.86
Rot. Bonds5

About 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide

2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide (PubChem CID 16650641) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide
PubChem CID16650641
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3cc(-c4ccccc4)oc3C)s2)c1
InChIInChI=1S/C23H20N2O2S/c1-15-7-6-8-17(11-15)12-19-14-24-23(28-19)25-22(26)20-13-21(27-16(20)2)18-9-4-3-5-10-18/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)
InChIKeyUWJVPIKJDHTUMZ-UHFFFAOYSA-N
XLogP5.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide?
The IUPAC name of 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide (CID 16650641) is 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide is Cc1cccc(Cc2cnc(NC(=O)c3cc(-c4ccccc4)oc3C)s2)c1.
What is the InChIKey of 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide?
The InChIKey is UWJVPIKJDHTUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-7-6-8-17(11-15)12-19-14-24-23(28-19)25-22(26)20-13-21(27-16(20)2)18-9-4-3-5-10-18/h3-11,13-14H,12H2,1-2H3,(H,24,25,26).
What are the key properties of 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide?
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 16650641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).