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

C9H11N3O4S — CID 90730553

IUPAC(2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
SMILESCn1ccnc1[C@H]1SC[C@@H](C(=O)O)N1C(=O)O
InChIInChI=1S/C9H11N3O4S/c1-11-3-2-10-6(11)7-12(9(15)16)5(4-17-7)8(13)14/h2-3,5,7H,4H2,1H3,(H,13,14)(H,15,16)/t5-,7+/m0/s1
InChIKeyOSRTUMVIRXSRBH-CAHLUQPWSA-N
MW257.27 g/mol
LogP0.60
Rot. Bonds2

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

(2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid (PubChem CID 90730553) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is (2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
PubChem CID90730553
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name(2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
SMILESCn1ccnc1[C@H]1SC[C@@H](C(=O)O)N1C(=O)O
InChIInChI=1S/C9H11N3O4S/c1-11-3-2-10-6(11)7-12(9(15)16)5(4-17-7)8(13)14/h2-3,5,7H,4H2,1H3,(H,13,14)(H,15,16)/t5-,7+/m0/s1
InChIKeyOSRTUMVIRXSRBH-CAHLUQPWSA-N
XLogP0.60
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-2-(1-methylimidazol-2-yl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 68812264
(2R)-2-(1-oxidopyridin-1-ium-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 91242899
2-methyl-3-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781366
2-ethyl-3-[(1-methylimidazol-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63776197
(2R)-2-(3-methoxyphenyl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 90789628
5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 112574792
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
2-ethyl-3-(1,3-thiazol-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791180
acetic acid;3-acetyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
CID 67943827
2-(1-methylimidazol-2-yl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one
CID 74227444
2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104669661

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid (CID 90730553) is (2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid is Cn1ccnc1[C@H]1SC[C@@H](C(=O)O)N1C(=O)O.
What is the InChIKey of (2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The InChIKey is OSRTUMVIRXSRBH-CAHLUQPWSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-11-3-2-10-6(11)7-12(9(15)16)5(4-17-7)8(13)14/h2-3,5,7H,4H2,1H3,(H,13,14)(H,15,16)/t5-,7+/m0/s1.
What are the key properties of (2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
(2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid has a molecular weight of 257.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(1-methylimidazol-2-yl)-1,3-thiazolidine-3,4-dicarboxylic acid is sourced from PubChem (CID 90730553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).