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

C11H16N4O3S — CID 55236692

IUPAC2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C11H16N4O3S/c1-6-8(4-13-14-6)3-12-11(18)15-7(2)19-5-9(15)10(16)17/h4,7,9H,3,5H2,1-2H3,(H,12,18)(H,13,14)(H,16,17)
InChIKeyJQMRRCXSFUCWDU-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.78
Rot. Bonds3

About 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55236692) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID55236692
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C11H16N4O3S/c1-6-8(4-13-14-6)3-12-11(18)15-7(2)19-5-9(15)10(16)17/h4,7,9H,3,5H2,1-2H3,(H,12,18)(H,13,14)(H,16,17)
InChIKeyJQMRRCXSFUCWDU-UHFFFAOYSA-N
XLogP0.78
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 55236692) is 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1[nH]ncc1CNC(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JQMRRCXSFUCWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-6-8(4-13-14-6)3-12-11(18)15-7(2)19-5-9(15)10(16)17/h4,7,9H,3,5H2,1-2H3,(H,12,18)(H,13,14)(H,16,17).
What are the key properties of 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55236692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).