(4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C10H14N4O3S — CID 54982754

IUPAC(4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H14N4O3S/c1-6-7(3-12-13-6)2-11-10(17)14-5-18-4-8(14)9(15)16/h3,8H,2,4-5H2,1H3,(H,11,17)(H,12,13)(H,15,16)/t8-/m0/s1
InChIKeyQHVBKUNUALKGFL-QMMMGPOBSA-N
MW270.31 g/mol
LogP0.39
Rot. Bonds3

About (4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54982754) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is (4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID54982754
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name(4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H14N4O3S/c1-6-7(3-12-13-6)2-11-10(17)14-5-18-4-8(14)9(15)16/h3,8H,2,4-5H2,1H3,(H,11,17)(H,12,13)(H,15,16)/t8-/m0/s1
InChIKeyQHVBKUNUALKGFL-QMMMGPOBSA-N
XLogP0.39
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 54982754) is (4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1[nH]ncc1CNC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QHVBKUNUALKGFL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-6-7(3-12-13-6)2-11-10(17)14-5-18-4-8(14)9(15)16/h3,8H,2,4-5H2,1H3,(H,11,17)(H,12,13)(H,15,16)/t8-/m0/s1.
What are the key properties of (4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54982754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).