2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide

C14H12N4O3S3 — CID 8557167

About 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide (PubChem CID 8557167) has the molecular formula C14H12N4O3S3 and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
• PubChem CID: 8557167
• Molecular Formula: C14H12N4O3S3
• Molecular Weight: 380.48 g/mol
• Exact Mass: 380.01
• IUPAC Name: 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
• SMILES: C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1sccc1C(N)=O
• InChI: InChI=1S/C14H12N4O3S3/c1-7(11(20)16-13-8(10(15)19)4-6-23-13)24-14-18-17-12(21-14)9-3-2-5-22-9/h2-7H,1H3,(H2,15,19)(H,16,20)/t7-/m1/s1
• InChIKey: LBYQJINESXAADL-SSDOTTSWSA-N
• XLogP: 3.08
• TPSA: 111.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.48
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide?

The IUPAC name of 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide (CID 8557167) is 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide.

What is the SMILES notation for 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide?

The canonical SMILES for 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide is C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1sccc1C(N)=O.

What is the InChIKey of 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide?

The InChIKey is LBYQJINESXAADL-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H12N4O3S3/c1-7(11(20)16-13-8(10(15)19)4-6-23-13)24-14-18-17-12(21-14)9-3-2-5-22-9/h2-7H,1H3,(H2,15,19)(H,16,20)/t7-/m1/s1.

What are the key properties of 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide?

2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 380.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 8557167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).