4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid

C9H7NO3S2 — CID 66437150

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
SMILESCc1csc(Oc2csc(C(=O)O)c2)n1
InChIInChI=1S/C9H7NO3S2/c1-5-3-15-9(10-5)13-6-2-7(8(11)12)14-4-6/h2-4H,1H3,(H,11,12)
InChIKeyZDKYZNQYITWZJI-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.00
Rot. Bonds3

About 4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid

4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid (PubChem CID 66437150) has the molecular formula C9H7NO3S2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
PubChem CID66437150
Molecular FormulaC9H7NO3S2
Molecular Weight241.29 g/mol
Exact Mass240.99
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
SMILESCc1csc(Oc2csc(C(=O)O)c2)n1
InChIInChI=1S/C9H7NO3S2/c1-5-3-15-9(10-5)13-6-2-7(8(11)12)14-4-6/h2-4H,1H3,(H,11,12)
InChIKeyZDKYZNQYITWZJI-UHFFFAOYSA-N
XLogP3.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437149
4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437578
4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid
CID 66436276
4-(4-bromo-3,5-dimethylphenoxy)thiophene-2-carboxylic acid
CID 107724907
4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66436265
4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436717
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 115298178
4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61396038
5-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61395722
4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid
CID 66438899
4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid
CID 116649335
3-[(4-methyl-1,3-thiazol-2-yl)oxy]pyridine-2-carboxylic acid
CID 61396203

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid (CID 66437150) is 4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid is Cc1csc(Oc2csc(C(=O)O)c2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid?
The InChIKey is ZDKYZNQYITWZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S2/c1-5-3-15-9(10-5)13-6-2-7(8(11)12)14-4-6/h2-4H,1H3,(H,11,12).
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid?
4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66437150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).