2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C9H12N4O3S — CID 63781609

IUPAC2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H12N4O3S/c1-5-13(7(4-17-5)8(14)15)9(16)12-6-2-10-11-3-6/h2-3,5,7H,4H2,1H3,(H,10,11)(H,12,16)(H,14,15)
InChIKeyVUYGOQLWVUBXMX-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.79
Rot. Bonds2

About 2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781609) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781609
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H12N4O3S/c1-5-13(7(4-17-5)8(14)15)9(16)12-6-2-10-11-3-6/h2-3,5,7H,4H2,1H3,(H,10,11)(H,12,16)(H,14,15)
InChIKeyVUYGOQLWVUBXMX-UHFFFAOYSA-N
XLogP0.79
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236879
3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780154
1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61210037
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311811
3-[1-(4-bromophenyl)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782017
2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 134120823
3-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780246
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235907
2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658595
2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104669661

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63781609) is 2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VUYGOQLWVUBXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-5-13(7(4-17-5)8(14)15)9(16)12-6-2-10-11-3-6/h2-3,5,7H,4H2,1H3,(H,10,11)(H,12,16)(H,14,15).
What are the key properties of 2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 256.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).