N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C16H15N5OS4 — CID 16576932

About N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 16576932) has the molecular formula C16H15N5OS4 and a molecular weight of 421.60 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 16576932
• Molecular Formula: C16H15N5OS4
• Molecular Weight: 421.60 g/mol
• Exact Mass: 421.02
• IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
• SMILES: CC(Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1sccc1C#N
• InChI: InChI=1S/C16H15N5OS4/c1-10(13(22)19-14-11(9-17)5-8-24-14)25-16-21-20-15(26-16)18-6-4-12-3-2-7-23-12/h2-3,5,7-8,10H,4,6H2,1H3,(H,18,20)(H,19,22)
• InChIKey: CFTYOYTZOQEADT-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 90.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.60
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 16576932) is N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CC(Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1sccc1C#N.

What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

The InChIKey is CFTYOYTZOQEADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS4/c1-10(13(22)19-14-11(9-17)5-8-24-14)25-16-21-20-15(26-16)18-6-4-12-3-2-7-23-12/h2-3,5,7-8,10H,4,6H2,1H3,(H,18,20)(H,19,22).

What are the key properties of N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 421.60 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 16576932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).