3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C9H12N4O3S — CID 54982132

IUPAC3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H12N4O3S/c14-8(15)7-4-17-5-13(7)9(16)10-1-6-2-11-12-3-6/h2-3,7H,1,4-5H2,(H,10,16)(H,11,12)(H,14,15)
InChIKeyTXRBZGCMGBFACT-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.08
Rot. Bonds3

About 3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54982132) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID54982132
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H12N4O3S/c14-8(15)7-4-17-5-13(7)9(16)10-1-6-2-11-12-3-6/h2-3,7H,1,4-5H2,(H,10,16)(H,11,12)(H,14,15)
InChIKeyTXRBZGCMGBFACT-UHFFFAOYSA-N
XLogP0.08
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43565627
(2S)-4-methylsulfanyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982039
(4R)-3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 54982087
3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54982230
4-methylsulfanyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982273
2-[cyclopropyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 54982654
2-[butan-2-yl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 54982702
(4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54982754
2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 55123998
2-ethyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235319
2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55236692
(4R)-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143908

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 54982132) is 3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is TXRBZGCMGBFACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c14-8(15)7-4-17-5-13(7)9(16)10-1-6-2-11-12-3-6/h2-3,7H,1,4-5H2,(H,10,16)(H,11,12)(H,14,15).
What are the key properties of 3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 256.29 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54982132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).