N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C24H26N4O4S — CID 25162099

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)Nc3nnc(Cc4ccccc4)s3)CC2=O)cc1OC
InChIInChI=1S/C24H26N4O4S/c1-31-19-9-8-17(12-20(19)32-2)10-11-28-15-18(14-22(28)29)23(30)25-24-27-26-21(33-24)13-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,25,27,30)
InChIKeyZSTRSAIDMQEOBV-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.18
Rot. Bonds9

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 25162099) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID25162099
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)Nc3nnc(Cc4ccccc4)s3)CC2=O)cc1OC
InChIInChI=1S/C24H26N4O4S/c1-31-19-9-8-17(12-20(19)32-2)10-11-28-15-18(14-22(28)29)23(30)25-24-27-26-21(33-24)13-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,25,27,30)
InChIKeyZSTRSAIDMQEOBV-UHFFFAOYSA-N
XLogP3.18
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 25162099) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)Nc3nnc(Cc4ccccc4)s3)CC2=O)cc1OC.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZSTRSAIDMQEOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-31-19-9-8-17(12-20(19)32-2)10-11-28-15-18(14-22(28)29)23(30)25-24-27-26-21(33-24)13-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,25,27,30).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25162099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).