(2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid

C8H11N3O2S — CID 90834520

IUPAC(2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cnc([C@@H]2NC(C(=O)O)CS2)[nH]1
InChIInChI=1S/C8H11N3O2S/c1-4-2-9-6(10-4)7-11-5(3-14-7)8(12)13/h2,5,7,11H,3H2,1H3,(H,9,10)(H,12,13)/t5?,7-/m1/s1
InChIKeyCUPYKVKDVVZSQZ-NQPNHJOESA-N
MW213.26 g/mol
LogP0.51
Rot. Bonds2

About (2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid

(2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 90834520) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is (2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID90834520
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name(2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cnc([C@@H]2NC(C(=O)O)CS2)[nH]1
InChIInChI=1S/C8H11N3O2S/c1-4-2-9-6(10-4)7-11-5(3-14-7)8(12)13/h2,5,7,11H,3H2,1H3,(H,9,10)(H,12,13)/t5?,7-/m1/s1
InChIKeyCUPYKVKDVVZSQZ-NQPNHJOESA-N
XLogP0.51
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid (CID 90834520) is (2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid is Cc1cnc([C@@H]2NC(C(=O)O)CS2)[nH]1.
What is the InChIKey of (2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CUPYKVKDVVZSQZ-NQPNHJOESA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-4-2-9-6(10-4)7-11-5(3-14-7)8(12)13/h2,5,7,11H,3H2,1H3,(H,9,10)(H,12,13)/t5?,7-/m1/s1.
What are the key properties of (2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid?
(2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methyl-1H-imidazol-2-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 90834520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).