1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

C17H21N5O2S — CID 24792566

IUPAC1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)c1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)s1
InChIInChI=1S/C17H21N5O2S/c1-11(2)15-20-21-16(25-15)19-14(23)13-9-6-10-22(13)17(24)18-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,18,24)(H,19,21,23)
InChIKeyAFYBHDGTYUFKTG-UHFFFAOYSA-N
MW359.46 g/mol
LogP3.30
Rot. Bonds4

About 1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 24792566) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID24792566
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)c1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)s1
InChIInChI=1S/C17H21N5O2S/c1-11(2)15-20-21-16(25-15)19-14(23)13-9-6-10-22(13)17(24)18-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,18,24)(H,19,21,23)
InChIKeyAFYBHDGTYUFKTG-UHFFFAOYSA-N
XLogP3.30
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 24792566) is 1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is CC(C)c1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)s1.
What is the InChIKey of 1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is AFYBHDGTYUFKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-11(2)15-20-21-16(25-15)19-14(23)13-9-6-10-22(13)17(24)18-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,18,24)(H,19,21,23).
What are the key properties of 1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 359.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 24792566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).