5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one

C11H12N2OS — CID 81455355

IUPAC5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one
SMILESNCCc1sc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C11H12N2OS/c12-7-6-9-10(13-11(14)15-9)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,14)
InChIKeyMGGUKCCYZYLUID-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.60
Rot. Bonds3

About 5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one

5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one (PubChem CID 81455355) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one
PubChem CID81455355
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one
SMILESNCCc1sc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C11H12N2OS/c12-7-6-9-10(13-11(14)15-9)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,14)
InChIKeyMGGUKCCYZYLUID-UHFFFAOYSA-N
XLogP1.60
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one (CID 81455355) is 5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one is NCCc1sc(=O)[nH]c1-c1ccccc1.
What is the InChIKey of 5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one?
The InChIKey is MGGUKCCYZYLUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-7-6-9-10(13-11(14)15-9)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,14).
What are the key properties of 5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one?
5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one has a molecular weight of 220.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 81455355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).