5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide

C20H22N4O3S2 — CID 92871920

About 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide

5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92871920) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 92871920
• Molecular Formula: C20H22N4O3S2
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.11
• IUPAC Name: 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: COCc1nnc(C(=O)Nc2cccc(C(=O)N[C@@H](c3cccs3)C(C)C)c2)s1
• InChI: InChI=1S/C20H22N4O3S2/c1-12(2)17(15-8-5-9-28-15)22-18(25)13-6-4-7-14(10-13)21-19(26)20-24-23-16(29-20)11-27-3/h4-10,12,17H,11H2,1-3H3,(H,21,26)(H,22,25)/t17-/m1/s1
• InChIKey: PIYWMJUKHSAZHU-QGZVFWFLSA-N
• XLogP: 4.13
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 92871920) is 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide is COCc1nnc(C(=O)Nc2cccc(C(=O)N[C@@H](c3cccs3)C(C)C)c2)s1.

What is the InChIKey of 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is PIYWMJUKHSAZHU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-12(2)17(15-8-5-9-28-15)22-18(25)13-6-4-7-14(10-13)21-19(26)20-24-23-16(29-20)11-27-3/h4-10,12,17H,11H2,1-3H3,(H,21,26)(H,22,25)/t17-/m1/s1.

What are the key properties of 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?

5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(methoxymethyl)-N-[3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92871920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).