2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid

C11H13N3O4S2 — CID 3068159

IUPAC2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
SMILESNCCO.O=C(O)C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C9H6N2O3S2.C2H7NO/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6;3-1-2-4/h1-4H,(H,13,14)(H,10,11,12);4H,1-3H2
InChIKeyIUXPYASWSNRSBA-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.83
Rot. Bonds3

About 2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid

2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 3068159) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
PubChem CID3068159
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
SMILESNCCO.O=C(O)C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C9H6N2O3S2.C2H7NO/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6;3-1-2-4/h1-4H,(H,13,14)(H,10,11,12);4H,1-3H2
InChIKeyIUXPYASWSNRSBA-UHFFFAOYSA-N
XLogP0.83
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid (CID 3068159) is 2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid is NCCO.O=C(O)C(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is IUXPYASWSNRSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3S2.C2H7NO/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6;3-1-2-4/h1-4H,(H,13,14)(H,10,11,12);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 315.38 g/mol, XLogP of 0.83, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 3068159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).