1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide

C17H21N5O3S — CID 154817834

IUPAC1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
SMILESCOCc1nnc(N2CC(C(=O)NCCCc3ccccn3)CC2=O)s1
InChIInChI=1S/C17H21N5O3S/c1-25-11-14-20-21-17(26-14)22-10-12(9-15(22)23)16(24)19-8-4-6-13-5-2-3-7-18-13/h2-3,5,7,12H,4,6,8-11H2,1H3,(H,19,24)
InChIKeyTXGINXKQRNJPSQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.18
Rot. Bonds8

About 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide

1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 154817834) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID154817834
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
SMILESCOCc1nnc(N2CC(C(=O)NCCCc3ccccn3)CC2=O)s1
InChIInChI=1S/C17H21N5O3S/c1-25-11-14-20-21-17(26-14)22-10-12(9-15(22)23)16(24)19-8-4-6-13-5-2-3-7-18-13/h2-3,5,7,12H,4,6,8-11H2,1H3,(H,19,24)
InChIKeyTXGINXKQRNJPSQ-UHFFFAOYSA-N
XLogP1.18
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 154818861
(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 97112567
1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 154563363
1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46109979
1-(4-ethoxyphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 24628562
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155505454
N-[(2-chlorophenyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 154571211
(3S)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7268966
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155508277
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155495117
4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154821567
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 154823606

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide (CID 154817834) is 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide is COCc1nnc(N2CC(C(=O)NCCCc3ccccn3)CC2=O)s1.
What is the InChIKey of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is TXGINXKQRNJPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-25-11-14-20-21-17(26-14)22-10-12(9-15(22)23)16(24)19-8-4-6-13-5-2-3-7-18-13/h2-3,5,7,12H,4,6,8-11H2,1H3,(H,19,24).
What are the key properties of 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154817834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).