(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C11H16N2O3S — CID 106216192

IUPAC(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESC#CCCCCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-2-3-4-5-6-12-11(16)13-8-17-7-9(13)10(14)15/h1,9H,3-8H2,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyYNJDCSVJTIQWJY-VIFPVBQESA-N
MW256.33 g/mol
LogP0.96
Rot. Bonds5

About (4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 106216192) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID106216192
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESC#CCCCCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-2-3-4-5-6-12-11(16)13-8-17-7-9(13)10(14)15/h1,9H,3-8H2,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyYNJDCSVJTIQWJY-VIFPVBQESA-N
XLogP0.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107817207
(4R)-3-(4-methylpentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63003765
(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106340340
(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205759
3-(3-phenoxypropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62379863
(4R)-3-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106431555
(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104867013
(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62635329
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228
(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143319
3-[2-(triazol-1-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 113413093
1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 106215867

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 106216192) is (4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is C#CCCCCNC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YNJDCSVJTIQWJY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-3-4-5-6-12-11(16)13-8-17-7-9(13)10(14)15/h1,9H,3-8H2,(H,12,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 106216192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).