(3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C16H16F2N4O3S — CID 52750772

About (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 52750772) has the molecular formula C16H16F2N4O3S and a molecular weight of 382.39 g/mol. Its IUPAC name is (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 52750772
• Molecular Formula: C16H16F2N4O3S
• Molecular Weight: 382.39 g/mol
• Exact Mass: 382.09
• IUPAC Name: (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc(C)cc1N1C[C@H](C(=O)Nc2nnc(C(F)F)s2)CC1=O
• InChI: InChI=1S/C16H16F2N4O3S/c1-8-3-4-11(25-2)10(5-8)22-7-9(6-12(22)23)14(24)19-16-21-20-15(26-16)13(17)18/h3-5,9,13H,6-7H2,1-2H3,(H,19,21,24)/t9-/m1/s1
• InChIKey: LHXTZBPEEXHKOT-SECBINFHSA-N
• XLogP: 2.78
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.39
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 52750772) is (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1C[C@H](C(=O)Nc2nnc(C(F)F)s2)CC1=O.

What is the InChIKey of (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is LHXTZBPEEXHKOT-SECBINFHSA-N. The full InChI is InChI=1S/C16H16F2N4O3S/c1-8-3-4-11(25-2)10(5-8)22-7-9(6-12(22)23)14(24)19-16-21-20-15(26-16)13(17)18/h3-5,9,13H,6-7H2,1-2H3,(H,19,21,24)/t9-/m1/s1.

What are the key properties of (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

(3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52750772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).