2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid

C10H9N5O4S — CID 114913435

IUPAC2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)Nc1nnns1
InChIInChI=1S/C10H9N5O4S/c16-8(17)5-19-7-4-2-1-3-6(7)11-9(18)12-10-13-14-15-20-10/h1-4H,5H2,(H,16,17)(H2,11,12,13,15,18)
InChIKeyAREMQJYTTKBKGO-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.04
Rot. Bonds5

About 2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid

2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid (PubChem CID 114913435) has the molecular formula C10H9N5O4S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid
PubChem CID114913435
Molecular FormulaC10H9N5O4S
Molecular Weight295.28 g/mol
Exact Mass295.04
IUPAC Name2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)Nc1nnns1
InChIInChI=1S/C10H9N5O4S/c16-8(17)5-19-7-4-2-1-3-6(7)11-9(18)12-10-13-14-15-20-10/h1-4H,5H2,(H,16,17)(H2,11,12,13,15,18)
InChIKeyAREMQJYTTKBKGO-UHFFFAOYSA-N
XLogP1.04
TPSA126.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114261
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
CID 63746569
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
CID 63745685
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
CID 104763817
2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
CID 63746200
2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
CID 63747077
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
CID 63746736
2-butoxy-N-(thiatriazol-5-yl)benzamide
CID 19114331
2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63747084

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid (CID 114913435) is 2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)Nc1nnns1.
What is the InChIKey of 2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is AREMQJYTTKBKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4S/c16-8(17)5-19-7-4-2-1-3-6(7)11-9(18)12-10-13-14-15-20-10/h1-4H,5H2,(H,16,17)(H2,11,12,13,15,18).
What are the key properties of 2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid?
2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 295.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiatriazol-5-ylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 114913435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).