3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C9H12N4O3S — CID 61204328

IUPAC3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCn1ccc(NC(=O)N2CSCC2C(=O)O)n1
InChIInChI=1S/C9H12N4O3S/c1-12-3-2-7(11-12)10-9(16)13-5-17-4-6(13)8(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H,10,11,16)
InChIKeyRKSDMLUWZCJHKI-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.41
Rot. Bonds2

About 3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61204328) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61204328
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCn1ccc(NC(=O)N2CSCC2C(=O)O)n1
InChIInChI=1S/C9H12N4O3S/c1-12-3-2-7(11-12)10-9(16)13-5-17-4-6(13)8(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H,10,11,16)
InChIKeyRKSDMLUWZCJHKI-UHFFFAOYSA-N
XLogP0.41
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63327691
3-[(2,3-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200074
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183483
3-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62814100
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185499

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61204328) is 3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cn1ccc(NC(=O)N2CSCC2C(=O)O)n1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RKSDMLUWZCJHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-12-3-2-7(11-12)10-9(16)13-5-17-4-6(13)8(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H,10,11,16).
What are the key properties of 3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 256.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61204328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).