2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H23N5O3S — CID 50949830

IUPAC2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(CC(=O)Nc2nnc(COC)s2)C1
InChIInChI=1S/C14H23N5O3S/c1-4-19(10(2)20)11-5-6-18(7-11)8-12(21)15-14-17-16-13(23-14)9-22-3/h11H,4-9H2,1-3H3,(H,15,17,21)
InChIKeyKODAWIQASNJDMI-UHFFFAOYSA-N
MW341.44 g/mol
LogP0.57
Rot. Bonds7

About 2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 50949830) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID50949830
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(CC(=O)Nc2nnc(COC)s2)C1
InChIInChI=1S/C14H23N5O3S/c1-4-19(10(2)20)11-5-6-18(7-11)8-12(21)15-14-17-16-13(23-14)9-22-3/h11H,4-9H2,1-3H3,(H,15,17,21)
InChIKeyKODAWIQASNJDMI-UHFFFAOYSA-N
XLogP0.57
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
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N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
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2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 155493209
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 95120255
2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
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2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 50971714
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide
CID 124751005
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide
CID 124749261
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 124755959
2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
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N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 50949830) is 2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is CCN(C(C)=O)C1CCN(CC(=O)Nc2nnc(COC)s2)C1.
What is the InChIKey of 2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KODAWIQASNJDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-4-19(10(2)20)11-5-6-18(7-11)8-12(21)15-14-17-16-13(23-14)9-22-3/h11H,4-9H2,1-3H3,(H,15,17,21).
What are the key properties of 2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 50949830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).