(3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C20H18N4O2S — CID 1085747

IUPAC(3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c5c(cccc35)CC4)C2)s1
InChIInChI=1S/C20H18N4O2S/c1-11-22-23-20(27-11)21-19(26)14-9-17(25)24(10-14)16-8-7-13-6-5-12-3-2-4-15(16)18(12)13/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,21,23,26)/t14-/m1/s1
InChIKeyNZQMLHKVSMJBRC-CQSZACIVSA-N
MW378.46 g/mol
LogP3.09
Rot. Bonds3

About (3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1085747) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is (3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1085747
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name(3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c5c(cccc35)CC4)C2)s1
InChIInChI=1S/C20H18N4O2S/c1-11-22-23-20(27-11)21-19(26)14-9-17(25)24(10-14)16-8-7-13-6-5-12-3-2-4-15(16)18(12)13/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,21,23,26)/t14-/m1/s1
InChIKeyNZQMLHKVSMJBRC-CQSZACIVSA-N
XLogP3.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1074693
(3S)-1-(2,3-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 40741530
(3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 97267367
N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 21213729
1-(3-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17120633
1-(3,5-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17120874
1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 24506396
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 112760983
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2993497
1-cyclohexyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2991661
(3S)-1-[4-(dimethylsulfamoyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 51721805
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7425535

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 1085747) is (3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c5c(cccc35)CC4)C2)s1.
What is the InChIKey of (3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NZQMLHKVSMJBRC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-11-22-23-20(27-11)21-19(26)14-9-17(25)24(10-14)16-8-7-13-6-5-12-3-2-4-15(16)18(12)13/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,21,23,26)/t14-/m1/s1.
What are the key properties of (3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1085747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).