N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide

C18H14N6O2S3 — CID 5055524

About N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide

N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 5055524) has the molecular formula C18H14N6O2S3 and a molecular weight of 442.55 g/mol. Its IUPAC name is N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
• PubChem CID: 5055524
• Molecular Formula: C18H14N6O2S3
• Molecular Weight: 442.55 g/mol
• Exact Mass: 442.03
• IUPAC Name: N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
• SMILES: Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc34)s2)s1
• InChI: InChI=1S/C18H14N6O2S3/c1-10-21-22-16(28-10)19-14(25)9-27-18-24-23-17(29-18)20-15(26)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3,(H,19,22,25)(H,20,23,26)
• InChIKey: RLDSIBJEXYZPBY-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 109.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.55
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide?

The IUPAC name of N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide (CID 5055524) is N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide?

The canonical SMILES for N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide is Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc34)s2)s1.

What is the InChIKey of N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide?

The InChIKey is RLDSIBJEXYZPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S3/c1-10-21-22-16(28-10)19-14(25)9-27-18-24-23-17(29-18)20-15(26)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3,(H,19,22,25)(H,20,23,26).

What are the key properties of N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide?

N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 5055524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).