5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid

C9H14N2O4S — CID 64628892

IUPAC5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid
SMILESCOCCOCCNc1scnc1C(=O)O
InChIInChI=1S/C9H14N2O4S/c1-14-4-5-15-3-2-10-8-7(9(12)13)11-6-16-8/h6,10H,2-5H2,1H3,(H,12,13)
InChIKeyFPGNNFZTOFTYHR-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.92
Rot. Bonds8

About 5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid

5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 64628892) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID64628892
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid
SMILESCOCCOCCNc1scnc1C(=O)O
InChIInChI=1S/C9H14N2O4S/c1-14-4-5-15-3-2-10-8-7(9(12)13)11-6-16-8/h6,10H,2-5H2,1H3,(H,12,13)
InChIKeyFPGNNFZTOFTYHR-UHFFFAOYSA-N
XLogP0.92
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxyethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631291
5-(propylamino)-1,3-thiazole-4-carboxylic acid
CID 64631089
5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631692
5-(2-methylsulfanylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629683
5-[[3-(tert-butylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylic acid
CID 113411095
5-(5-methylhexylamino)-1,3-thiazole-4-carboxylic acid
CID 115327010
5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid
CID 106215466
5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629476
5-[(3-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64630076
4-[[2-(2-methoxyethoxy)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243896
5-(pyridin-4-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64630479
2-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 62230020

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid (CID 64628892) is 5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid is COCCOCCNc1scnc1C(=O)O.
What is the InChIKey of 5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FPGNNFZTOFTYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-14-4-5-15-3-2-10-8-7(9(12)13)11-6-16-8/h6,10H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid?
5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 246.29 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64628892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).