(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide

C20H17ClN4O3S — CID 67953374

IUPAC(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2nsc(NC(=O)[C@@H]3CCC(=O)N3c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H17ClN4O3S/c1-28-15-8-2-12(3-9-15)18-22-20(29-24-18)23-19(27)16-10-11-17(26)25(16)14-6-4-13(21)5-7-14/h2-9,16H,10-11H2,1H3,(H,22,23,24,27)/t16-/m0/s1
InChIKeyWSOQIVWDTNUNIX-INIZCTEOSA-N
MW428.90 g/mol
LogP4.00
Rot. Bonds5

About (2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 67953374) has the molecular formula C20H17ClN4O3S and a molecular weight of 428.90 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID67953374
Molecular FormulaC20H17ClN4O3S
Molecular Weight428.90 g/mol
Exact Mass428.07
IUPAC Name(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2nsc(NC(=O)[C@@H]3CCC(=O)N3c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H17ClN4O3S/c1-28-15-8-2-12(3-9-15)18-22-20(29-24-18)23-19(27)16-10-11-17(26)25(16)14-6-4-13(21)5-7-14/h2-9,16H,10-11H2,1H3,(H,22,23,24,27)/t16-/m0/s1
InChIKeyWSOQIVWDTNUNIX-INIZCTEOSA-N
XLogP4.00
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 46843809
1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110374043
methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261094
(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953375
N-(3-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374202
N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 75218835
N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374182
(3R)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide
CID 95313237
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 77437771
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carboxamide
CID 76831460
CID 11494152
CID 11494152

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide (CID 67953374) is (2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide is COc1ccc(-c2nsc(NC(=O)[C@@H]3CCC(=O)N3c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WSOQIVWDTNUNIX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17ClN4O3S/c1-28-15-8-2-12(3-9-15)18-22-20(29-24-18)23-19(27)16-10-11-17(26)25(16)14-6-4-13(21)5-7-14/h2-9,16H,10-11H2,1H3,(H,22,23,24,27)/t16-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67953374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).