1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine

C14H13N3OS — CID 149467520

IUPAC1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1sc(-c2ncco2)nc1-c1ccccc1
InChIInChI=1S/C14H13N3OS/c1-9(15)12-11(10-5-3-2-4-6-10)17-14(19-12)13-16-7-8-18-13/h2-9H,15H2,1H3
InChIKeyZASFIPNSOMYNOH-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.48
Rot. Bonds3

About 1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine

1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 149467520) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
PubChem CID149467520
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1sc(-c2ncco2)nc1-c1ccccc1
InChIInChI=1S/C14H13N3OS/c1-9(15)12-11(10-5-3-2-4-6-10)17-14(19-12)13-16-7-8-18-13/h2-9H,15H2,1H3
InChIKeyZASFIPNSOMYNOH-UHFFFAOYSA-N
XLogP3.48
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine (CID 149467520) is 1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine is CC(N)c1sc(-c2ncco2)nc1-c1ccccc1.
What is the InChIKey of 1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZASFIPNSOMYNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9(15)12-11(10-5-3-2-4-6-10)17-14(19-12)13-16-7-8-18-13/h2-9H,15H2,1H3.
What are the key properties of 1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 271.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 149467520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).