6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C21H19N5OS2 — CID 133346016

About 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133346016) has the molecular formula C21H19N5OS2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 133346016
• Molecular Formula: C21H19N5OS2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.10
• IUPAC Name: 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: Cc1ccsc1C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nncs2)cn1
• InChI: InChI=1S/C21H19N5OS2/c1-14-9-10-28-19(14)17(11-15-5-3-2-4-6-15)24-18-8-7-16(12-22-18)20(27)25-21-26-23-13-29-21/h2-10,12-13,17H,11H2,1H3,(H,22,24)(H,25,26,27)
• InChIKey: BXEWRDYQCILRCU-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133346016) is 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is Cc1ccsc1C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nncs2)cn1.

What is the InChIKey of 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is BXEWRDYQCILRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS2/c1-14-9-10-28-19(14)17(11-15-5-3-2-4-6-15)24-18-8-7-16(12-22-18)20(27)25-21-26-23-13-29-21/h2-10,12-13,17H,11H2,1H3,(H,22,24)(H,25,26,27).

What are the key properties of 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133346016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).