6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C18H14N6OS2 — CID 133331329

About 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133331329) has the molecular formula C18H14N6OS2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 133331329
• Molecular Formula: C18H14N6OS2
• Molecular Weight: 394.49 g/mol
• Exact Mass: 394.07
• IUPAC Name: 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: O=C(Nc1nncs1)c1ccc(NCc2csc(-c3ccccc3)n2)nc1
• InChI: InChI=1S/C18H14N6OS2/c25-16(23-18-24-21-11-27-18)13-6-7-15(19-8-13)20-9-14-10-26-17(22-14)12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,19,20)(H,23,24,25)
• InChIKey: HRADXYQESWCMHM-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 92.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.49
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133331329) is 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(NCc2csc(-c3ccccc3)n2)nc1.

What is the InChIKey of 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is HRADXYQESWCMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS2/c25-16(23-18-24-21-11-27-18)13-6-7-15(19-8-13)20-9-14-10-26-17(22-14)12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,19,20)(H,23,24,25).

What are the key properties of 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133331329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).