2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid

C9H14N2O3S — CID 62754860

IUPAC2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCN(CCOC)c1ncc(C(=O)O)s1
InChIInChI=1S/C9H14N2O3S/c1-3-11(4-5-14-2)9-10-6-7(15-9)8(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyYQHKFNJYBRVZOM-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.31
Rot. Bonds6

About 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid

2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62754860) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62754860
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCN(CCOC)c1ncc(C(=O)O)s1
InChIInChI=1S/C9H14N2O3S/c1-3-11(4-5-14-2)9-10-6-7(15-9)8(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyYQHKFNJYBRVZOM-UHFFFAOYSA-N
XLogP1.31
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62754860) is 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid is CCN(CCOC)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YQHKFNJYBRVZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-3-11(4-5-14-2)9-10-6-7(15-9)8(12)13/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid?
2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 230.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62754860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).