(2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide

C18H20N4O2S2 — CID 8857369

About (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide

(2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 8857369) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 8857369
• Molecular Formula: C18H20N4O2S2
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.10
• IUPAC Name: (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
• SMILES: Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccco3)s2)c1C
• InChI: InChI=1S/C18H20N4O2S2/c1-11-6-4-8-15(12(11)2)20-17-21-22-18(26-17)25-13(3)16(23)19-10-14-7-5-9-24-14/h4-9,13H,10H2,1-3H3,(H,19,23)(H,20,21)/t13-/m0/s1
• InChIKey: FJJUPEKBIDZEIT-ZDUSSCGKSA-N
• XLogP: 4.29
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide?

The IUPAC name of (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide (CID 8857369) is (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide.

What is the SMILES notation for (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide?

The canonical SMILES for (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide is Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccco3)s2)c1C.

What is the InChIKey of (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide?

The InChIKey is FJJUPEKBIDZEIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-11-6-4-8-15(12(11)2)20-17-21-22-18(26-17)25-13(3)16(23)19-10-14-7-5-9-24-14/h4-9,13H,10H2,1-3H3,(H,19,23)(H,20,21)/t13-/m0/s1.

What are the key properties of (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide?

(2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 388.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 8857369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).