2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid

C8H11N3O2S — CID 131071428

IUPAC2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1ccc(C2NC(C(=O)O)CS2)n1
InChIInChI=1S/C8H11N3O2S/c1-11-3-2-5(10-11)7-9-6(4-14-7)8(12)13/h2-3,6-7,9H,4H2,1H3,(H,12,13)
InChIKeyMAXPXQMIZIHJJE-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.21
Rot. Bonds2

About 2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid

2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 131071428) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID131071428
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1ccc(C2NC(C(=O)O)CS2)n1
InChIInChI=1S/C8H11N3O2S/c1-11-3-2-5(10-11)7-9-6(4-14-7)8(12)13/h2-3,6-7,9H,4H2,1H3,(H,12,13)
InChIKeyMAXPXQMIZIHJJE-UHFFFAOYSA-N
XLogP0.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 126985113
(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 66118285
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 80500578
(4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 130592481
(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 107774076
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
CID 68805778
2-(2-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2732724
(4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 91623324
(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 130586615
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid (CID 131071428) is 2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid is Cn1ccc(C2NC(C(=O)O)CS2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MAXPXQMIZIHJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-11-3-2-5(10-11)7-9-6(4-14-7)8(12)13/h2-3,6-7,9H,4H2,1H3,(H,12,13).
What are the key properties of 2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 131071428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).