3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide

C16H20N4O2S — CID 71980700

IUPAC3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1
InChIInChI=1S/C16H20N4O2S/c1-2-22-10-12-7-8-20(9-12)16(21)17-14-5-3-13(4-6-14)15-11-23-19-18-15/h3-6,11-12H,2,7-10H2,1H3,(H,17,21)
InChIKeyKJDSXXVKGDILKB-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.10
Rot. Bonds5

About 3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide

3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 71980700) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID71980700
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1
InChIInChI=1S/C16H20N4O2S/c1-2-22-10-12-7-8-20(9-12)16(21)17-14-5-3-13(4-6-14)15-11-23-19-18-15/h3-6,11-12H,2,7-10H2,1H3,(H,17,21)
InChIKeyKJDSXXVKGDILKB-UHFFFAOYSA-N
XLogP3.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 42646083
N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 47386684
3-pyrrolidin-1-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 53614230
N-tert-butyl-2-[[4-(thiadiazol-4-yl)phenyl]carbamoylamino]propanamide
CID 53618792
1-(1-Cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 71874143
3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 71978355
1-(1-Hydroxy-4-methylpentan-3-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 72117702
(3S)-3-hydroxy-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 72117703
1-(2-Cyanopropyl)-1-ethyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 71861235
(3S,4S)-1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122077820
4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide
CID 11573047
1-(1-Methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 11666850

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide (CID 71980700) is 3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide is CCOCC1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1.
What is the InChIKey of 3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is KJDSXXVKGDILKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-2-22-10-12-7-8-20(9-12)16(21)17-14-5-3-13(4-6-14)15-11-23-19-18-15/h3-6,11-12H,2,7-10H2,1H3,(H,17,21).
What are the key properties of 3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71980700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).