2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid

C9H12N2O3S — CID 130580243

IUPAC2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid
SMILESCOc1nc(N2CCCC2)c(C(=O)O)s1
InChIInChI=1S/C9H12N2O3S/c1-14-9-10-7(6(15-9)8(12)13)11-4-2-3-5-11/h2-5H2,1H3,(H,12,13)
InChIKeyYFQILDBDYKFVAI-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.45
Rot. Bonds3

About 2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid

2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 130580243) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid
PubChem CID130580243
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid
SMILESCOc1nc(N2CCCC2)c(C(=O)O)s1
InChIInChI=1S/C9H12N2O3S/c1-14-9-10-7(6(15-9)8(12)13)11-4-2-3-5-11/h2-5H2,1H3,(H,12,13)
InChIKeyYFQILDBDYKFVAI-UHFFFAOYSA-N
XLogP1.45
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 117258762
2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885485
4-tert-butyl-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 84681130
4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 19885472
4-(azepan-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854888
5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398
2-(azepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393406
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid
CID 170880284
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid (CID 130580243) is 2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid is COc1nc(N2CCCC2)c(C(=O)O)s1.
What is the InChIKey of 2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YFQILDBDYKFVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-14-9-10-7(6(15-9)8(12)13)11-4-2-3-5-11/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid?
2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 130580243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).