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

C11H10N2O4S2 — CID 66438656

IUPAC4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESCC(=O)Nc1nc(COc2csc(C(=O)O)c2)cs1
InChIInChI=1S/C11H10N2O4S2/c1-6(14)12-11-13-7(4-19-11)3-17-8-2-9(10(15)16)18-5-8/h2,4-5H,3H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyBMUMXEUMPUYPJX-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.44
Rot. Bonds5

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

4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66438656) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID66438656
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESCC(=O)Nc1nc(COc2csc(C(=O)O)c2)cs1
InChIInChI=1S/C11H10N2O4S2/c1-6(14)12-11-13-7(4-19-11)3-17-8-2-9(10(15)16)18-5-8/h2,4-5H,3H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyBMUMXEUMPUYPJX-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-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 55200988
4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66437775
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 66439304
4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66437561
ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate
CID 87522175
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
4-[(3-acetamidophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664317
(2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate
CID 55701341
N-[4-[(4-chloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 46535229

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid (CID 66438656) is 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid is CC(=O)Nc1nc(COc2csc(C(=O)O)c2)cs1.
What is the InChIKey of 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is BMUMXEUMPUYPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-6(14)12-11-13-7(4-19-11)3-17-8-2-9(10(15)16)18-5-8/h2,4-5H,3H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
4-[(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 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66438656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).