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

C8H11N3O2S — CID 126985113

IUPAC2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cnc(C2NC(C(=O)O)CS2)c1
InChIInChI=1S/C8H11N3O2S/c1-11-2-5(9-4-11)7-10-6(3-14-7)8(12)13/h2,4,6-7,10H,3H2,1H3,(H,12,13)
InChIKeyIFXINTAQIARXGB-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.21
Rot. Bonds2

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

2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 126985113) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID126985113
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCn1cnc(C2NC(C(=O)O)CS2)c1
InChIInChI=1S/C8H11N3O2S/c1-11-2-5(9-4-11)7-10-6(3-14-7)8(12)13/h2,4,6-7,10H,3H2,1H3,(H,12,13)
InChIKeyIFXINTAQIARXGB-UHFFFAOYSA-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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Related Compounds

2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 131071428
(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 66118285
(4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid
CID 107773774
(4S)-2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107773729
(4R)-2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 79583895
2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 80500578
(4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 130592481
(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 107774076
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 51673907
(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 130586615
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
CID 68805778

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 126985113) is 2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is Cn1cnc(C2NC(C(=O)O)CS2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IFXINTAQIARXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-11-2-5(9-4-11)7-10-6(3-14-7)8(12)13/h2,4,6-7,10H,3H2,1H3,(H,12,13).
What are the key properties of 2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(1-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 2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 126985113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).