2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid

C11H10N2O3S — CID 3074898

IUPAC2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid
SMILESNc1nc(-c2ccc(OCC(=O)O)cc2)cs1
InChIInChI=1S/C11H10N2O3S/c12-11-13-9(6-17-11)7-1-3-8(4-2-7)16-5-10(14)15/h1-4,6H,5H2,(H2,12,13)(H,14,15)
InChIKeyHYDGPYDSIOCNTN-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.86
Rot. Bonds4

About 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid

2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid (PubChem CID 3074898) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid
PubChem CID3074898
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid
SMILESNc1nc(-c2ccc(OCC(=O)O)cc2)cs1
InChIInChI=1S/C11H10N2O3S/c12-11-13-9(6-17-11)7-1-3-8(4-2-7)16-5-10(14)15/h1-4,6H,5H2,(H2,12,13)(H,14,15)
InChIKeyHYDGPYDSIOCNTN-UHFFFAOYSA-N
XLogP1.86
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid (CID 3074898) is 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid is Nc1nc(-c2ccc(OCC(=O)O)cc2)cs1.
What is the InChIKey of 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid?
The InChIKey is HYDGPYDSIOCNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c12-11-13-9(6-17-11)7-1-3-8(4-2-7)16-5-10(14)15/h1-4,6H,5H2,(H2,12,13)(H,14,15).
What are the key properties of 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid?
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid has a molecular weight of 250.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid is sourced from PubChem (CID 3074898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).