2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide

C22H18N4O3S2 — CID 31520933

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide (PubChem CID 31520933) has the molecular formula C22H18N4O3S2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
• PubChem CID: 31520933
• Molecular Formula: C22H18N4O3S2
• Molecular Weight: 450.55 g/mol
• Exact Mass: 450.08
• IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
• SMILES: Cc1cc(CSc2ncccc2C(=O)Nc2cccc(NC(=O)c3cccs3)c2)no1
• InChI: InChI=1S/C22H18N4O3S2/c1-14-11-17(26-29-14)13-31-22-18(7-3-9-23-22)20(27)24-15-5-2-6-16(12-15)25-21(28)19-8-4-10-30-19/h2-12H,13H2,1H3,(H,24,27)(H,25,28)
• InChIKey: DPSIUOXGFMHWOX-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.55
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide (CID 31520933) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)Nc2cccc(NC(=O)c3cccs3)c2)no1.

What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?

The InChIKey is DPSIUOXGFMHWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S2/c1-14-11-17(26-29-14)13-31-22-18(7-3-9-23-22)20(27)24-15-5-2-6-16(12-15)25-21(28)19-8-4-10-30-19/h2-12H,13H2,1H3,(H,24,27)(H,25,28).

What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 450.55 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 31520933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).