3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H13N3O3S — CID 63327691

IUPAC3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccncc1NC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C11H13N3O3S/c1-7-2-3-12-4-8(7)13-11(17)14-6-18-5-9(14)10(15)16/h2-4,9H,5-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyVBJFBWAHNRNBLD-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.38
Rot. Bonds2

About 3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63327691) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63327691
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccncc1NC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C11H13N3O3S/c1-7-2-3-12-4-8(7)13-11(17)14-6-18-5-9(14)10(15)16/h2-4,9H,5-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyVBJFBWAHNRNBLD-UHFFFAOYSA-N
XLogP1.38
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
3-(isoquinolin-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205607
3-[(2,3-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200074
2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63773948
(4R)-3-[(2,5-difluoro-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103586681
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430379
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
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
2-methyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744299
(4R)-3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107593278

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63327691) is 3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ccncc1NC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VBJFBWAHNRNBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-2-3-12-4-8(7)13-11(17)14-6-18-5-9(14)10(15)16/h2-4,9H,5-6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63327691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).