N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C21H22N4O2S — CID 112760983

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)s1
InChIInChI=1S/C21H22N4O2S/c1-13(2)10-18-23-24-21(28-18)22-20(27)15-11-19(26)25(12-15)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15H,10-12H2,1-2H3,(H,22,24,27)
InChIKeyZKQXUPANJCYOKQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.88
Rot. Bonds5

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 112760983) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID112760983
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)s1
InChIInChI=1S/C21H22N4O2S/c1-13(2)10-18-23-24-21(28-18)22-20(27)15-11-19(26)25(12-15)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15H,10-12H2,1-2H3,(H,22,24,27)
InChIKeyZKQXUPANJCYOKQ-UHFFFAOYSA-N
XLogP3.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17120440
1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 45492097
1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 24506396
1-(2,4-difluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55624061
1-(2,5-dimethoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 85000731
(3S)-1-(2,4-dimethoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9351784
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6463897
1-(4-methylphenyl)-5-oxo-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17321525
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
(3S)-1-(2,3-dimethylphenyl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7425543
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080771

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 112760983) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is CC(C)Cc1nnc(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZKQXUPANJCYOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-13(2)10-18-23-24-21(28-18)22-20(27)15-11-19(26)25(12-15)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15H,10-12H2,1-2H3,(H,22,24,27).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112760983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).