N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide

C22H19N5O2S2 — CID 51685902

About N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide

N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide (PubChem CID 51685902) has the molecular formula C22H19N5O2S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
• PubChem CID: 51685902
• Molecular Formula: C22H19N5O2S2
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.10
• IUPAC Name: N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
• SMILES: O=C(NCc1ccccc1)[C@H](c1cccs1)N(Cc1cccnc1)C(=O)c1csnn1
• InChI: InChI=1S/C22H19N5O2S2/c28-21(24-13-16-6-2-1-3-7-16)20(19-9-5-11-30-19)27(14-17-8-4-10-23-12-17)22(29)18-15-31-26-25-18/h1-12,15,20H,13-14H2,(H,24,28)/t20-/m0/s1
• InChIKey: JZTJHPYKVHXOHH-FQEVSTJZSA-N
• XLogP: 3.69
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide?

The IUPAC name of N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide (CID 51685902) is N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide.

What is the SMILES notation for N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide?

The canonical SMILES for N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide is O=C(NCc1ccccc1)[C@H](c1cccs1)N(Cc1cccnc1)C(=O)c1csnn1.

What is the InChIKey of N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide?

The InChIKey is JZTJHPYKVHXOHH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19N5O2S2/c28-21(24-13-16-6-2-1-3-7-16)20(19-9-5-11-30-19)27(14-17-8-4-10-23-12-17)22(29)18-15-31-26-25-18/h1-12,15,20H,13-14H2,(H,24,28)/t20-/m0/s1.

What are the key properties of N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide?

N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 51685902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).