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

C11H10N2O4S2 — CID 55200988

IUPAC3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESCC(=O)Nc1nc(COc2ccsc2C(=O)O)cs1
InChIInChI=1S/C11H10N2O4S2/c1-6(14)12-11-13-7(5-19-11)4-17-8-2-3-18-9(8)10(15)16/h2-3,5H,4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyXSVRTZLLKCYMLM-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.44
Rot. Bonds5

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

3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 55200988) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID55200988
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESCC(=O)Nc1nc(COc2ccsc2C(=O)O)cs1
InChIInChI=1S/C11H10N2O4S2/c1-6(14)12-11-13-7(5-19-11)4-17-8-2-3-18-9(8)10(15)16/h2-3,5H,4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyXSVRTZLLKCYMLM-UHFFFAOYSA-N
XLogP2.44
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338532
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996
4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66438656
N-[4-[(4-chloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 46535229
3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63336486
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
3-(3-methylbut-2-enoxy)thiophene-2-carboxylic acid
CID 63338354
3-[(2,3,4,5,6-pentafluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 63335962
3-[(1-phenylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 63335925
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid (CID 55200988) is 3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid is CC(=O)Nc1nc(COc2ccsc2C(=O)O)cs1.
What is the InChIKey of 3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is XSVRTZLLKCYMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-6(14)12-11-13-7(5-19-11)4-17-8-2-3-18-9(8)10(15)16/h2-3,5H,4H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 55200988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).