1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

C16H18ClN5O2S — CID 24792435

IUPAC1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C16H18ClN5O2S/c1-2-13-20-21-15(25-13)19-14(23)12-4-3-9-22(12)16(24)18-11-7-5-10(17)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,18,24)(H,19,21,23)
InChIKeyTVFCLMJXPCBXCW-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.39
Rot. Bonds4

About 1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 24792435) has the molecular formula C16H18ClN5O2S and a molecular weight of 379.87 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID24792435
Molecular FormulaC16H18ClN5O2S
Molecular Weight379.87 g/mol
Exact Mass379.09
IUPAC Name1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C16H18ClN5O2S/c1-2-13-20-21-15(25-13)19-14(23)12-4-3-9-22(12)16(24)18-11-7-5-10(17)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,18,24)(H,19,21,23)
InChIKeyTVFCLMJXPCBXCW-UHFFFAOYSA-N
XLogP3.39
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 24792435) is 1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is CCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is TVFCLMJXPCBXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2S/c1-2-13-20-21-15(25-13)19-14(23)12-4-3-9-22(12)16(24)18-11-7-5-10(17)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,18,24)(H,19,21,23).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 379.87 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 24792435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).