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

C10H9NO3S2 — CID 63338532

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESCc1nc(COc2ccsc2C(=O)O)cs1
InChIInChI=1S/C10H9NO3S2/c1-6-11-7(5-16-6)4-14-8-2-3-15-9(8)10(12)13/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyXEMDMKQNJNHKHQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.79
Rot. Bonds4

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

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 63338532) has the molecular formula C10H9NO3S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID63338532
Molecular FormulaC10H9NO3S2
Molecular Weight255.32 g/mol
Exact Mass255.00
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESCc1nc(COc2ccsc2C(=O)O)cs1
InChIInChI=1S/C10H9NO3S2/c1-6-11-7(5-16-6)4-14-8-2-3-15-9(8)10(12)13/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyXEMDMKQNJNHKHQ-UHFFFAOYSA-N
XLogP2.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 55200988
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79158538
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320748
3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 16769058
3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336500
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338533
3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 102880260
3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63336486
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
3-[(2,3,4,5,6-pentafluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 63335962

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid (CID 63338532) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid is Cc1nc(COc2ccsc2C(=O)O)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is XEMDMKQNJNHKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S2/c1-6-11-7(5-16-6)4-14-8-2-3-15-9(8)10(12)13/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63338532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).