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

C15H14F2N4O3S — CID 91955961

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nncs1)C1CCC(=O)N1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14F2N4O3S/c16-14(17)24-10-3-1-9(2-4-10)7-21-11(5-6-12(21)22)13(23)19-15-20-18-8-25-15/h1-4,8,11,14H,5-7H2,(H,19,20,23)
InChIKeyOYKGFSGPFPYBKX-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.27
Rot. Bonds6

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

1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 91955961) has the molecular formula C15H14F2N4O3S and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID91955961
Molecular FormulaC15H14F2N4O3S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nncs1)C1CCC(=O)N1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14F2N4O3S/c16-14(17)24-10-3-1-9(2-4-10)7-21-11(5-6-12(21)22)13(23)19-15-20-18-8-25-15/h1-4,8,11,14H,5-7H2,(H,19,20,23)
InChIKeyOYKGFSGPFPYBKX-UHFFFAOYSA-N
XLogP2.27
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.27
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]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (CID 91955961) is 1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nncs1)C1CCC(=O)N1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is OYKGFSGPFPYBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3S/c16-14(17)24-10-3-1-9(2-4-10)7-21-11(5-6-12(21)22)13(23)19-15-20-18-8-25-15/h1-4,8,11,14H,5-7H2,(H,19,20,23).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.27, 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]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91955961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).