N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

C24H24N6O2S2 — CID 31799308

About N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 31799308) has the molecular formula C24H24N6O2S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

• Compound Name: N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
• PubChem CID: 31799308
• Molecular Formula: C24H24N6O2S2
• Molecular Weight: 492.63 g/mol
• Exact Mass: 492.14
• IUPAC Name: N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
• SMILES: CCn1c(SCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)nnc1-c1cccc(C)c1
• InChI: InChI=1S/C24H24N6O2S2/c1-4-30-21(18-12-8-9-15(2)13-18)27-29-24(30)33-14-19(31)26-28-22(32)20-16(3)25-23(34-20)17-10-6-5-7-11-17/h5-13H,4,14H2,1-3H3,(H,26,31)(H,28,32)
• InChIKey: PTQSEZVXZRRYIU-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.63
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?

The IUPAC name of N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 31799308) is N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

What is the SMILES notation for N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?

The canonical SMILES for N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is CCn1c(SCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)nnc1-c1cccc(C)c1.

What is the InChIKey of N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?

The InChIKey is PTQSEZVXZRRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S2/c1-4-30-21(18-12-8-9-15(2)13-18)27-29-24(30)33-14-19(31)26-28-22(32)20-16(3)25-23(34-20)17-10-6-5-7-11-17/h5-13H,4,14H2,1-3H3,(H,26,31)(H,28,32).

What are the key properties of N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?

N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 492.63 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 31799308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).