(2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid

C19H24N4O3S — CID 10293649

IUPAC(2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](Nc1nc(-c2ccccc2)ns1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C19H24N4O3S/c1-12(2)11-14(17(24)23-10-6-9-15(23)18(25)26)20-19-21-16(22-27-19)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,25,26)(H,20,21,22)/t14-,15-/m0/s1
InChIKeyISHLAMIPPZWQSP-GJZGRUSLSA-N
MW388.49 g/mol
LogP3.11
Rot. Bonds7

About (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 10293649) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
PubChem CID10293649
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name(2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](Nc1nc(-c2ccccc2)ns1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C19H24N4O3S/c1-12(2)11-14(17(24)23-10-6-9-15(23)18(25)26)20-19-21-16(22-27-19)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,25,26)(H,20,21,22)/t14-,15-/m0/s1
InChIKeyISHLAMIPPZWQSP-GJZGRUSLSA-N
XLogP3.11
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid (CID 10293649) is (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid is CC(C)C[C@H](Nc1nc(-c2ccccc2)ns1)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ISHLAMIPPZWQSP-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-12(2)11-14(17(24)23-10-6-9-15(23)18(25)26)20-19-21-16(22-27-19)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,25,26)(H,20,21,22)/t14-,15-/m0/s1.
What are the key properties of (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 388.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-4-methyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10293649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).