2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C13H17N3O3S — CID 63780714

IUPAC2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(NC(=O)N1C(C)SCC1C(=O)O)c1ccccn1
InChIInChI=1S/C13H17N3O3S/c1-8(10-5-3-4-6-14-10)15-13(19)16-9(2)20-7-11(16)12(17)18/h3-6,8-9,11H,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyRRXORHPQKPKSSC-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.70
Rot. Bonds3

About 2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780714) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780714
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(NC(=O)N1C(C)SCC1C(=O)O)c1ccccn1
InChIInChI=1S/C13H17N3O3S/c1-8(10-5-3-4-6-14-10)15-13(19)16-9(2)20-7-11(16)12(17)18/h3-6,8-9,11H,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyRRXORHPQKPKSSC-UHFFFAOYSA-N
XLogP1.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-pyridin-2-ylethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82904549
2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236879
3-[1-(4-bromophenyl)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782017
2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780468
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618419
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide
CID 112758937
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106346742
3-(3-ethylpentan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63843748
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780714) is 2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC(NC(=O)N1C(C)SCC1C(=O)O)c1ccccn1.
What is the InChIKey of 2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RRXORHPQKPKSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8(10-5-3-4-6-14-10)15-13(19)16-9(2)20-7-11(16)12(17)18/h3-6,8-9,11H,7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).