N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

C16H16N4O3S2 — CID 34112240

About N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 34112240) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 34112240
• Molecular Formula: C16H16N4O3S2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.07
• IUPAC Name: N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: CCCc1nnc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)s1
• InChI: InChI=1S/C16H16N4O3S2/c1-3-5-11-19-20-16(25-11)18-15(22)13-9(2)8-12(24-13)17-14(21)10-6-4-7-23-10/h4,6-8H,3,5H2,1-2H3,(H,17,21)(H,18,20,22)
• InChIKey: NUMMNHRKSJVBTF-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 34112240) is N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is CCCc1nnc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)s1.

What is the InChIKey of N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is NUMMNHRKSJVBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-3-5-11-19-20-16(25-11)18-15(22)13-9(2)8-12(24-13)17-14(21)10-6-4-7-23-10/h4,6-8H,3,5H2,1-2H3,(H,17,21)(H,18,20,22).

What are the key properties of N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?

N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 34112240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).