3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide

C17H23N5OS — CID 71978355

IUPAC3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCCN(C)CC1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1
InChIInChI=1S/C17H23N5OS/c1-3-21(2)10-13-8-9-22(11-13)17(23)18-15-6-4-14(5-7-15)16-12-24-20-19-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,23)
InChIKeyWWOKHSIMNGWOCN-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.01
Rot. Bonds5

About 3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide

3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 71978355) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID71978355
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCCN(C)CC1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1
InChIInChI=1S/C17H23N5OS/c1-3-21(2)10-13-8-9-22(11-13)17(23)18-15-6-4-14(5-7-15)16-12-24-20-19-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,23)
InChIKeyWWOKHSIMNGWOCN-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide (CID 71978355) is 3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide is CCN(C)CC1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1.
What is the InChIKey of 3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is WWOKHSIMNGWOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-3-21(2)10-13-8-9-22(11-13)17(23)18-15-6-4-14(5-7-15)16-12-24-20-19-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,23).
What are the key properties of 3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71978355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).