(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

C8H11N3O2S — CID 66118285

IUPAC(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cncc1C1N[C@H](C(=O)O)CS1
InChIInChI=1S/C8H11N3O2S/c1-11-4-9-2-6(11)7-10-5(3-14-7)8(12)13/h2,4-5,7,10H,3H2,1H3,(H,12,13)/t5-,7?/m0/s1
InChIKeyUQBJXTWGRRRNBT-DSEUIKHZSA-N
MW213.26 g/mol
LogP0.21
Rot. Bonds2

About (4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66118285) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is (4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID66118285
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cncc1C1N[C@H](C(=O)O)CS1
InChIInChI=1S/C8H11N3O2S/c1-11-4-9-2-6(11)7-10-5(3-14-7)8(12)13/h2,4-5,7,10H,3H2,1H3,(H,12,13)/t5-,7?/m0/s1
InChIKeyUQBJXTWGRRRNBT-DSEUIKHZSA-N
XLogP0.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 66118285) is (4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is Cn1cncc1C1N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UQBJXTWGRRRNBT-DSEUIKHZSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-11-4-9-2-6(11)7-10-5(3-14-7)8(12)13/h2,4-5,7,10H,3H2,1H3,(H,12,13)/t5-,7?/m0/s1.
What are the key properties of (4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66118285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).