1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide

C16H16F2N4O3S — CID 91955962

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1nnc(NC(=O)C2CCC(=O)N2Cc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C16H16F2N4O3S/c1-9-20-21-16(26-9)19-14(24)12-6-7-13(23)22(12)8-10-2-4-11(5-3-10)25-15(17)18/h2-5,12,15H,6-8H2,1H3,(H,19,21,24)
InChIKeyDMDBDQXLTDFIDW-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.58
Rot. Bonds6

About 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide

1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955962) has the molecular formula C16H16F2N4O3S and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID91955962
Molecular FormulaC16H16F2N4O3S
Molecular Weight382.39 g/mol
Exact Mass382.09
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1nnc(NC(=O)C2CCC(=O)N2Cc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C16H16F2N4O3S/c1-9-20-21-16(26-9)19-14(24)12-6-7-13(23)22(12)8-10-2-4-11(5-3-10)25-15(17)18/h2-5,12,15H,6-8H2,1H3,(H,19,21,24)
InChIKeyDMDBDQXLTDFIDW-UHFFFAOYSA-N
XLogP2.58
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide (CID 91955962) is 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide is Cc1nnc(NC(=O)C2CCC(=O)N2Cc2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DMDBDQXLTDFIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3S/c1-9-20-21-16(26-9)19-14(24)12-6-7-13(23)22(12)8-10-2-4-11(5-3-10)25-15(17)18/h2-5,12,15H,6-8H2,1H3,(H,19,21,24).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).