5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

C19H21N5OS — CID 53300740

IUPAC5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C19H21N5OS/c1-13-6-4-7-14(2)17(13)24-18(20-21-22-24)19(3)10-9-16(25)23(19)12-15-8-5-11-26-15/h4-8,11H,9-10,12H2,1-3H3
InChIKeyAAPNBJMAZSVBPZ-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.38
Rot. Bonds4

About 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 53300740) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
PubChem CID53300740
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C19H21N5OS/c1-13-6-4-7-14(2)17(13)24-18(20-21-22-24)19(3)10-9-16(25)23(19)12-15-8-5-11-26-15/h4-8,11H,9-10,12H2,1-3H3
InChIKeyAAPNBJMAZSVBPZ-UHFFFAOYSA-N
XLogP3.38
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 53300746
1-Cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
CID 53300791
3-({[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-thiophen-2-ylmethyl-amino}-methyl)-8-methyl-1H-quinolin-2-one
CID 653699
8-[[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360792
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300744
1-(Cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
CID 53300787
5-(1-Benzyltetrazol-5-yl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 53300751
2-{[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(thiophen-2-ylmethyl)acetamide
CID 2304478
3-[[benzyl(thiophen-2-ylmethyl)amino]-(1-tert-butyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3187391
6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3204590
[4-[[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-(5-methylthiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 172838768
[4-[[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 178520845

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 53300740) is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is Cc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1Cc1cccs1.
What is the InChIKey of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is AAPNBJMAZSVBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-6-4-7-14(2)17(13)24-18(20-21-22-24)19(3)10-9-16(25)23(19)12-15-8-5-11-26-15/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 367.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 53300740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).