N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C12H18N4O3S — CID 154566425

IUPACN-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN(C)C(=O)C1CC(=O)N(c2nnc(C)s2)C1
InChIInChI=1S/C12H18N4O3S/c1-8-13-14-12(20-8)16-7-9(6-10(16)17)11(18)15(2)4-5-19-3/h9H,4-7H2,1-3H3
InChIKeyCJVUBJFLMHFIDU-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.30
Rot. Bonds5

About N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 154566425) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID154566425
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN(C)C(=O)C1CC(=O)N(c2nnc(C)s2)C1
InChIInChI=1S/C12H18N4O3S/c1-8-13-14-12(20-8)16-7-9(6-10(16)17)11(18)15(2)4-5-19-3/h9H,4-7H2,1-3H3
InChIKeyCJVUBJFLMHFIDU-UHFFFAOYSA-N
XLogP0.30
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697095
N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 154819737
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 155498733
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 154818989
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155503880
formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 163333990
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 154820579
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 60989328
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid
CID 155938580
4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154821567
1-(1,3-benzothiazol-2-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 154571371
methyl 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693081

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 154566425) is N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is COCCN(C)C(=O)C1CC(=O)N(c2nnc(C)s2)C1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CJVUBJFLMHFIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-8-13-14-12(20-8)16-7-9(6-10(16)17)11(18)15(2)4-5-19-3/h9H,4-7H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154566425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).