N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C14H15N3O3S2 — CID 2999001

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 2999001) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 2999001
• Molecular Formula: C14H15N3O3S2
• Molecular Weight: 337.43 g/mol
• Exact Mass: 337.06
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
• SMILES: Cc1nnc(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)s1
• InChI: InChI=1S/C14H15N3O3S2/c1-8(21-14-17-16-9(2)22-14)13(18)15-10-3-4-11-12(7-10)20-6-5-19-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)
• InChIKey: BYCLSNLABAQAJY-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.43
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 2999001) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is Cc1nnc(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)s1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?

The InChIKey is BYCLSNLABAQAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-8(21-14-17-16-9(2)22-14)13(18)15-10-3-4-11-12(7-10)20-6-5-19-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,18).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 337.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 2999001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).