N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide

C18H32N6O2S2 — CID 43021669

About N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide

N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide (PubChem CID 43021669) has the molecular formula C18H32N6O2S2 and a molecular weight of 428.63 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide
• PubChem CID: 43021669
• Molecular Formula: C18H32N6O2S2
• Molecular Weight: 428.63 g/mol
• Exact Mass: 428.20
• IUPAC Name: N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide
• SMILES: CC(C)CNc1nnc(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)s1
• InChI: InChI=1S/C18H32N6O2S2/c1-13(2)10-19-16-21-22-17(28-16)27-12-15(26)24-8-6-23(7-9-24)11-14(25)20-18(3,4)5/h13H,6-12H2,1-5H3,(H,19,21)(H,20,25)
• InChIKey: YFGFYGSSKHJSGH-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.63
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide?

The IUPAC name of N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide (CID 43021669) is N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide is CC(C)CNc1nnc(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)s1.

What is the InChIKey of N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide?

The InChIKey is YFGFYGSSKHJSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2S2/c1-13(2)10-19-16-21-22-17(28-16)27-12-15(26)24-8-6-23(7-9-24)11-14(25)20-18(3,4)5/h13H,6-12H2,1-5H3,(H,19,21)(H,20,25).

What are the key properties of N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide?

N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 428.63 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43021669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).