N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

C14H18N6O2S2 — CID 123932745

About N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 123932745) has the molecular formula C14H18N6O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 123932745
• Molecular Formula: C14H18N6O2S2
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.09
• IUPAC Name: N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nnc(C2CCCC(c3nnc(NC(C)=O)s3)C2)s1
• InChI: InChI=1S/C14H18N6O2S2/c1-7(21)15-13-19-17-11(23-13)9-4-3-5-10(6-9)12-18-20-14(24-12)16-8(2)22/h9-10H,3-6H2,1-2H3,(H,15,19,21)(H,16,20,22)
• InChIKey: XLKXCGFVHCBUBA-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 109.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 123932745) is N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(C2CCCC(c3nnc(NC(C)=O)s3)C2)s1.

What is the InChIKey of N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is XLKXCGFVHCBUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S2/c1-7(21)15-13-19-17-11(23-13)9-4-3-5-10(6-9)12-18-20-14(24-12)16-8(2)22/h9-10H,3-6H2,1-2H3,(H,15,19,21)(H,16,20,22).

What are the key properties of N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?

N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 123932745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).