6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C14H13N5O2S2 — CID 133340068

About 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133340068) has the molecular formula C14H13N5O2S2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 133340068
• Molecular Formula: C14H13N5O2S2
• Molecular Weight: 347.43 g/mol
• Exact Mass: 347.05
• IUPAC Name: 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: O=C(Nc1nncs1)c1ccc(NCC(O)c2ccsc2)nc1
• InChI: InChI=1S/C14H13N5O2S2/c20-11(10-3-4-22-7-10)6-16-12-2-1-9(5-15-12)13(21)18-14-19-17-8-23-14/h1-5,7-8,11,20H,6H2,(H,15,16)(H,18,19,21)
• InChIKey: WWOWIMOUZDHBPX-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 100.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.43
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133340068) is 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

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

The canonical SMILES for 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(NCC(O)c2ccsc2)nc1.

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

The InChIKey is WWOWIMOUZDHBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S2/c20-11(10-3-4-22-7-10)6-16-12-2-1-9(5-15-12)13(21)18-14-19-17-8-23-14/h1-5,7-8,11,20H,6H2,(H,15,16)(H,18,19,21).

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

6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133340068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).