1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

C20H16Cl2N4O2S — CID 42757512

IUPAC1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H16Cl2N4O2S/c21-14-9-13(10-15(22)11-14)19(28)26-8-4-7-16(26)17(27)23-20-25-24-18(29-20)12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8H2,(H,23,25,27)
InChIKeyJZUNAMDTCWZSSD-UHFFFAOYSA-N
MW447.35 g/mol
LogP4.76
Rot. Bonds4

About 1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 42757512) has the molecular formula C20H16Cl2N4O2S and a molecular weight of 447.35 g/mol. Its IUPAC name is 1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID42757512
Molecular FormulaC20H16Cl2N4O2S
Molecular Weight447.35 g/mol
Exact Mass446.04
IUPAC Name1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H16Cl2N4O2S/c21-14-9-13(10-15(22)11-14)19(28)26-8-4-7-16(26)17(27)23-20-25-24-18(29-20)12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8H2,(H,23,25,27)
InChIKeyJZUNAMDTCWZSSD-UHFFFAOYSA-N
XLogP4.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-phenylbenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 93099947
1-(3,5-dimethoxybenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 42662140
(2R)-1-(3-methoxybenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 7412166
(2R)-1-benzoyl-N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 7356490
1-(2-chlorobenzoyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 42757702
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 42757892
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-benzoylpyrrolidine-2-carboxamide
CID 42763245
1-(3-fluorobenzoyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 3902070
1-N-benzyl-2-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 4590207
1-(3,4-dichlorobenzoyl)-N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 3464780
1-(3,4-dichlorobenzoyl)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 42662254
2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(2,6-dichlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3966522

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (CID 42757512) is 1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is JZUNAMDTCWZSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2S/c21-14-9-13(10-15(22)11-14)19(28)26-8-4-7-16(26)17(27)23-20-25-24-18(29-20)12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8H2,(H,23,25,27).
What are the key properties of 1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 447.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42757512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).