6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide

C26H26N10O4S2 — CID 90163384

About 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide

6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 90163384) has the molecular formula C26H26N10O4S2 and a molecular weight of 606.69 g/mol. Its IUPAC name is 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
• PubChem CID: 90163384
• Molecular Formula: C26H26N10O4S2
• Molecular Weight: 606.69 g/mol
• Exact Mass: 606.16
• IUPAC Name: 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
• SMILES: NC(=O)c1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(NC=O)cn5)s4)C3)s2)nc1
• InChI: InChI=1S/C26H26N10O4S2/c27-22(40)16-4-5-17(28-11-16)9-20(38)31-25-35-33-23(41-25)14-2-1-3-15(8-14)24-34-36-26(42-24)32-21(39)10-18-6-7-19(12-29-18)30-13-37/h4-7,11-15H,1-3,8-10H2,(H2,27,40)(H,30,37)(H,31,35,38)(H,32,36,39)/t14-,15-/m0/s1
• InChIKey: PWPJGJJCCCWGBH-GJZGRUSLSA-N
• XLogP: 2.65
• TPSA: 207.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.69
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide?

The IUPAC name of 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide (CID 90163384) is 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide is NC(=O)c1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(NC=O)cn5)s4)C3)s2)nc1.

What is the InChIKey of 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide?

The InChIKey is PWPJGJJCCCWGBH-GJZGRUSLSA-N. The full InChI is InChI=1S/C26H26N10O4S2/c27-22(40)16-4-5-17(28-11-16)9-20(38)31-25-35-33-23(41-25)14-2-1-3-15(8-14)24-34-36-26(42-24)32-21(39)10-18-6-7-19(12-29-18)30-13-37/h4-7,11-15H,1-3,8-10H2,(H2,27,40)(H,30,37)(H,31,35,38)(H,32,36,39)/t14-,15-/m0/s1.

What are the key properties of 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide?

6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 606.69 g/mol, XLogP of 2.65, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 90163384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).