N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

C19H23N5O3S — CID 46271430

IUPACN-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN2c2nnc(N3CCCC3=O)s2)c1
InChIInChI=1S/C19H23N5O3S/c1-27-14-6-2-5-13(11-14)12-20-17(26)15-7-3-9-23(15)18-21-22-19(28-18)24-10-4-8-16(24)25/h2,5-6,11,15H,3-4,7-10,12H2,1H3,(H,20,26)
InChIKeyOGCZUFPWKRJGIN-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.96
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 46271430) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID46271430
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN2c2nnc(N3CCCC3=O)s2)c1
InChIInChI=1S/C19H23N5O3S/c1-27-14-6-2-5-13(11-14)12-20-17(26)15-7-3-9-23(15)18-21-22-19(28-18)24-10-4-8-16(24)25/h2,5-6,11,15H,3-4,7-10,12H2,1H3,(H,20,26)
InChIKeyOGCZUFPWKRJGIN-UHFFFAOYSA-N
XLogP1.96
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513382
N-(3-methoxybenzyl)-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide
CID 22513393
(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736848
(2S)-N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92750446
1-Cyclopentyl-3-[5-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 58430555
1-Cyclopentyl-3-[5-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 68235599
N-[(2,3-Dimethoxyphenyl)methyl]-2-{methyl[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]amino}acetamide
CID 22513626
N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344968
N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344974
1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 91955961
1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 91955962
(2S)-1-[[4-(difluoromethoxy)phenyl]methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 100246882

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 46271430) is N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is COc1cccc(CNC(=O)C2CCCN2c2nnc(N3CCCC3=O)s2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is OGCZUFPWKRJGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-27-14-6-2-5-13(11-14)12-20-17(26)15-7-3-9-23(15)18-21-22-19(28-18)24-10-4-8-16(24)25/h2,5-6,11,15H,3-4,7-10,12H2,1H3,(H,20,26).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46271430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).