2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C16H23N5OS2 — CID 7451413

IUPAC2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCn1c(SC)nnc1[C@@H]1CCCN1CC(=O)NCc1cccs1
InChIInChI=1S/C16H23N5OS2/c1-3-21-15(18-19-16(21)23-2)13-7-4-8-20(13)11-14(22)17-10-12-6-5-9-24-12/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,17,22)/t13-/m0/s1
InChIKeyIYLFTDAQOPZRQV-ZDUSSCGKSA-N
MW365.53 g/mol
LogP2.53
Rot. Bonds7

About 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 7451413) has the molecular formula C16H23N5OS2 and a molecular weight of 365.53 g/mol. Its IUPAC name is 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID7451413
Molecular FormulaC16H23N5OS2
Molecular Weight365.53 g/mol
Exact Mass365.13
IUPAC Name2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCn1c(SC)nnc1[C@@H]1CCCN1CC(=O)NCc1cccs1
InChIInChI=1S/C16H23N5OS2/c1-3-21-15(18-19-16(21)23-2)13-7-4-8-20(13)11-14(22)17-10-12-6-5-9-24-12/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,17,22)/t13-/m0/s1
InChIKeyIYLFTDAQOPZRQV-ZDUSSCGKSA-N
XLogP2.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide 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

2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3231966
2-[2-(4-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42946126
2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 60505182
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 134001147
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 78942399
2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 62656444
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51199623
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 8838317
N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 24613844
2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 95104341
2-[(3R)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535725
2-[(3S)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535726

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 7451413) is 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is CCn1c(SC)nnc1[C@@H]1CCCN1CC(=O)NCc1cccs1.
What is the InChIKey of 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IYLFTDAQOPZRQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5OS2/c1-3-21-15(18-19-16(21)23-2)13-7-4-8-20(13)11-14(22)17-10-12-6-5-9-24-12/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,17,22)/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 365.53 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 7451413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).