(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C11H13N3O3S — CID 61200404

IUPAC(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCc1cccnc1
InChIInChI=1S/C11H13N3O3S/c15-10(16)9-6-18-7-14(9)11(17)13-5-8-2-1-3-12-4-8/h1-4,9H,5-7H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKeyCBLKTQGUJZRDNF-VIFPVBQESA-N
MW267.31 g/mol
LogP0.75
Rot. Bonds3

About (4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61200404) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is (4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61200404
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCc1cccnc1
InChIInChI=1S/C11H13N3O3S/c15-10(16)9-6-18-7-14(9)11(17)13-5-8-2-1-3-12-4-8/h1-4,9H,5-7H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKeyCBLKTQGUJZRDNF-VIFPVBQESA-N
XLogP0.75
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61203852
4-(pyridin-3-ylmethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82903979
(4R)-3-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61205375
3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62533279
(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 97212140
3-(1-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197892
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
2-propan-2-yl-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780340
(4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 54963071
(4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61189858
3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204063
4-(2-pyridin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82900776

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61200404) is (4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)NCc1cccnc1.
What is the InChIKey of (4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CBLKTQGUJZRDNF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-10(16)9-6-18-7-14(9)11(17)13-5-8-2-1-3-12-4-8/h1-4,9H,5-7H2,(H,13,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61200404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).