5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide

C16H17N5O2S2 — CID 156584427

About 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide

5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide (PubChem CID 156584427) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
• PubChem CID: 156584427
• Molecular Formula: C16H17N5O2S2
• Molecular Weight: 375.48 g/mol
• Exact Mass: 375.08
• IUPAC Name: 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
• SMILES: CC(=O)c1cc(C(=O)Nc2nnc(CCn3nc(C)cc3C)s2)cs1
• InChI: InChI=1S/C16H17N5O2S2/c1-9-6-10(2)21(20-9)5-4-14-18-19-16(25-14)17-15(23)12-7-13(11(3)22)24-8-12/h6-8H,4-5H2,1-3H3,(H,17,19,23)
• InChIKey: SITYRNXSVRDMGY-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.48
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?

The IUPAC name of 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide (CID 156584427) is 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide.

What is the SMILES notation for 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?

The canonical SMILES for 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)Nc2nnc(CCn3nc(C)cc3C)s2)cs1.

What is the InChIKey of 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?

The InChIKey is SITYRNXSVRDMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-9-6-10(2)21(20-9)5-4-14-18-19-16(25-14)17-15(23)12-7-13(11(3)22)24-8-12/h6-8H,4-5H2,1-3H3,(H,17,19,23).

What are the key properties of 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?

5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 156584427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).