2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide

C20H16Cl3N5O2S — CID 3966522

IUPAC2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1nnc(-c2cccc(Cl)c2)s1)C1CCCN1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H16Cl3N5O2S/c21-12-5-1-4-11(10-12)18-26-27-19(31-18)25-17(29)15-8-3-9-28(15)20(30)24-16-13(22)6-2-7-14(16)23/h1-2,4-7,10,15H,3,8-9H2,(H,24,30)(H,25,27,29)
InChIKeyQEAAMWGMIQSPLQ-UHFFFAOYSA-N
MW496.81 g/mol
LogP5.80
Rot. Bonds4

About 2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide

2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3966522) has the molecular formula C20H16Cl3N5O2S and a molecular weight of 496.81 g/mol. Its IUPAC name is 2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3966522
Molecular FormulaC20H16Cl3N5O2S
Molecular Weight496.81 g/mol
Exact Mass495.01
IUPAC Name2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1nnc(-c2cccc(Cl)c2)s1)C1CCCN1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H16Cl3N5O2S/c21-12-5-1-4-11(10-12)18-26-27-19(31-18)25-17(29)15-8-3-9-28(15)20(30)24-16-13(22)6-2-7-14(16)23/h1-2,4-7,10,15H,3,8-9H2,(H,24,30)(H,25,27,29)
InChIKeyQEAAMWGMIQSPLQ-UHFFFAOYSA-N
XLogP5.80
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.81
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(3-bromophenyl)-2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42758156
2-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3258483
1-N-(4-chlorophenyl)-2-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42758005
(2S)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-nonanoylpyrrolidine-2-carboxamide
CID 98396532
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 42757892
1-N-(2,6-dimethylphenyl)-2-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42758134
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide
CID 4005673
1-N-(2,4-dichlorophenyl)-2-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 4566008
1-N-(3,4-difluorophenyl)-2-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42764745
1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 42757512
(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 51508255
1-N-benzyl-2-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 4590207

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide (CID 3966522) is 2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide is O=C(Nc1nnc(-c2cccc(Cl)c2)s1)C1CCCN1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is QEAAMWGMIQSPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N5O2S/c21-12-5-1-4-11(10-12)18-26-27-19(31-18)25-17(29)15-8-3-9-28(15)20(30)24-16-13(22)6-2-7-14(16)23/h1-2,4-7,10,15H,3,8-9H2,(H,24,30)(H,25,27,29).
What are the key properties of 2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide?
2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 496.81 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3966522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).