N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C20H20N4O3S2 — CID 46606057

About N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 46606057) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 46606057
• Molecular Formula: C20H20N4O3S2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.10
• IUPAC Name: N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: COc1ccccc1Nc1nnc(SCC(=O)NC2CCOc3ccccc32)s1
• InChI: InChI=1S/C20H20N4O3S2/c1-26-17-9-5-3-7-15(17)22-19-23-24-20(29-19)28-12-18(25)21-14-10-11-27-16-8-4-2-6-13(14)16/h2-9,14H,10-12H2,1H3,(H,21,25)(H,22,23)
• InChIKey: OFCRWSKGCFPYQI-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 85.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 46606057) is N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COc1ccccc1Nc1nnc(SCC(=O)NC2CCOc3ccccc32)s1.

What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is OFCRWSKGCFPYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-26-17-9-5-3-7-15(17)22-19-23-24-20(29-19)28-12-18(25)21-14-10-11-27-16-8-4-2-6-13(14)16/h2-9,14H,10-12H2,1H3,(H,21,25)(H,22,23).

What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 428.54 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 46606057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).