2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid

C12H10N2O4S — CID 114030968

IUPAC2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cncs2)cc1
InChIInChI=1S/C12H10N2O4S/c15-11(16)6-18-9-3-1-8(2-4-9)14-12(17)10-5-13-7-19-10/h1-5,7H,6H2,(H,14,17)(H,15,16)
InChIKeyOZRUYIVDBDZXBN-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.86
Rot. Bonds5

About 2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid

2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid (PubChem CID 114030968) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid
PubChem CID114030968
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cncs2)cc1
InChIInChI=1S/C12H10N2O4S/c15-11(16)6-18-9-3-1-8(2-4-9)14-12(17)10-5-13-7-19-10/h1-5,7H,6H2,(H,14,17)(H,15,16)
InChIKeyOZRUYIVDBDZXBN-UHFFFAOYSA-N
XLogP1.86
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
2-(4-benzamidophenoxy)acetic acid
CID 3830392
N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 103789386
2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid
CID 107371543
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 113222078
2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid
CID 62033918
2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
CID 63773250
2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
CID 63745197
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 103868856
2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid
CID 62034278

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid (CID 114030968) is 2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)c2cncs2)cc1.
What is the InChIKey of 2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid?
The InChIKey is OZRUYIVDBDZXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-11(16)6-18-9-3-1-8(2-4-9)14-12(17)10-5-13-7-19-10/h1-5,7H,6H2,(H,14,17)(H,15,16).
What are the key properties of 2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid?
2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid has a molecular weight of 278.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 114030968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).