2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide

C28H26N8O2S2 — CID 74982586

IUPAC2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1cccc2[nH]ccc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc4[nH]ccc34)s2)s1
InChIInChI=1S/C28H26N8O2S2/c37-23(15-17-5-3-7-21-19(17)11-13-29-21)31-27-35-33-25(39-27)9-1-2-10-26-34-36-28(40-26)32-24(38)16-18-6-4-8-22-20(18)12-14-30-22/h3-8,11-14,29-30H,1-2,9-10,15-16H2,(H,31,35,37)(H,32,36,38)
InChIKeyGBCYTTVNIXUJGE-UHFFFAOYSA-N
MW570.70 g/mol
LogP5.28
Rot. Bonds11

About 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 74982586) has the molecular formula C28H26N8O2S2 and a molecular weight of 570.70 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID74982586
Molecular FormulaC28H26N8O2S2
Molecular Weight570.70 g/mol
Exact Mass570.16
IUPAC Name2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1cccc2[nH]ccc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc4[nH]ccc34)s2)s1
InChIInChI=1S/C28H26N8O2S2/c37-23(15-17-5-3-7-21-19(17)11-13-29-21)31-27-35-33-25(39-27)9-1-2-10-26-34-36-28(40-26)32-24(38)16-18-6-4-8-22-20(18)12-14-30-22/h3-8,11-14,29-30H,1-2,9-10,15-16H2,(H,31,35,37)(H,32,36,38)
InChIKeyGBCYTTVNIXUJGE-UHFFFAOYSA-N
XLogP5.28
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 55.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 74982586) is 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1cccc2[nH]ccc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc4[nH]ccc34)s2)s1.
What is the InChIKey of 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GBCYTTVNIXUJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O2S2/c37-23(15-17-5-3-7-21-19(17)11-13-29-21)31-27-35-33-25(39-27)9-1-2-10-26-34-36-28(40-26)32-24(38)16-18-6-4-8-22-20(18)12-14-30-22/h3-8,11-14,29-30H,1-2,9-10,15-16H2,(H,31,35,37)(H,32,36,38).
What are the key properties of 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 570.70 g/mol, XLogP of 5.28, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)-N-[5-[4-[5-[[2-(1H-indol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 74982586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).