(4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C9H11N3O3S2 — CID 54963071

IUPAC(4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCc1nccs1
InChIInChI=1S/C9H11N3O3S2/c13-8(14)6-4-16-5-12(6)9(15)11-3-7-10-1-2-17-7/h1-2,6H,3-5H2,(H,11,15)(H,13,14)/t6-/m0/s1
InChIKeyFBJWEVVYLRTACF-LURJTMIESA-N
MW273.34 g/mol
LogP0.81
Rot. Bonds3

About (4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54963071) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID54963071
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC Name(4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCc1nccs1
InChIInChI=1S/C9H11N3O3S2/c13-8(14)6-4-16-5-12(6)9(15)11-3-7-10-1-2-17-7/h1-2,6H,3-5H2,(H,11,15)(H,13,14)/t6-/m0/s1
InChIKeyFBJWEVVYLRTACF-LURJTMIESA-N
XLogP0.81
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106403333
(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61200404
(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
(2S)-1-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78927419
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65245298
(4R)-3-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61205375
(2S,4R)-4-hydroxy-1-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842201
3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62533279
3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184439
3-[2-(triazol-1-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 113413093
(4R)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185674

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 54963071) is (4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)NCc1nccs1.
What is the InChIKey of (4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FBJWEVVYLRTACF-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O3S2/c13-8(14)6-4-16-5-12(6)9(15)11-3-7-10-1-2-17-7/h1-2,6H,3-5H2,(H,11,15)(H,13,14)/t6-/m0/s1.
What are the key properties of (4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54963071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).