2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid

C7H9NO3S — CID 71755411

IUPAC2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOC(C)c1ncc(C(=O)O)s1
InChIInChI=1S/C7H9NO3S/c1-4(11-2)6-8-3-5(12-6)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKeyMCGPYPCNQMMCHY-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.55
Rot. Bonds3

About 2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid

2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 71755411) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID71755411
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOC(C)c1ncc(C(=O)O)s1
InChIInChI=1S/C7H9NO3S/c1-4(11-2)6-8-3-5(12-6)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKeyMCGPYPCNQMMCHY-UHFFFAOYSA-N
XLogP1.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tizoprolic Acid
CID 65773
5-Thiazolecarboxylic acid, 2-methyl-
CID 98845
5-Thiazolecarboxylic acid, 2-ethyl-
CID 207755
2-Acetyl-1,3-thiazole-5-carboxylic acid
CID 49853468
2-(1,3-Dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 18441892
2-(1,1-Dimethylethyl)-5-thiazolecarboxylic acid
CID 19885529
Ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
2-Methoxy-1,3-thiazole-5-carboxylic acid
CID 16494897
2-Ethoxy-1,3-thiazole-5-carboxylic acid
CID 16494898
2-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 19786342
2-(Methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 19885554
Methyl 2-methyl-1,3-thiazole-5-carboxylate
CID 21427465

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid (CID 71755411) is 2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid is COC(C)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is MCGPYPCNQMMCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-4(11-2)6-8-3-5(12-6)7(9)10/h3-4H,1-2H3,(H,9,10).
What are the key properties of 2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 187.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 71755411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).