1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid

C10H15N3O2S — CID 102776659

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCc1nsc(N2CCC(C)C2C(=O)O)n1
InChIInChI=1S/C10H15N3O2S/c1-3-7-11-10(16-12-7)13-5-4-6(2)8(13)9(14)15/h6,8H,3-5H2,1-2H3,(H,14,15)
InChIKeyOLFVPSUTMSSXSH-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.40
Rot. Bonds3

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102776659) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102776659
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCc1nsc(N2CCC(C)C2C(=O)O)n1
InChIInChI=1S/C10H15N3O2S/c1-3-7-11-10(16-12-7)13-5-4-6(2)8(13)9(14)15/h6,8H,3-5H2,1-2H3,(H,14,15)
InChIKeyOLFVPSUTMSSXSH-UHFFFAOYSA-N
XLogP1.40
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776528
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 102776527
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
3-methyl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 102776447
5-(3-bromopyrrolidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 80670014
5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 130948770
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977
4-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65270367
5-(4-bromoazepan-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 130774667
5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 131086575
5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 65277628

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid (CID 102776659) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid is CCc1nsc(N2CCC(C)C2C(=O)O)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is OLFVPSUTMSSXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-7-11-10(16-12-7)13-5-4-6(2)8(13)9(14)15/h6,8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102776659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).