1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone

C13H14N2OS — CID 767111

IUPAC1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H14N2OS/c1-2-10-3-5-11(6-4-10)12(16)9-15-7-8-17-13(15)14/h3-8,14H,2,9H2,1H3/b14-13-
InChIKeyMGFAHTMHQRYOMW-YPKPFQOOSA-N
MW246.34 g/mol
LogP2.47
Rot. Bonds4

About 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone

1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone (PubChem CID 767111) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
PubChem CID767111
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H14N2OS/c1-2-10-3-5-11(6-4-10)12(16)9-15-7-8-17-13(15)14/h3-8,14H,2,9H2,1H3/b14-13-
InChIKeyMGFAHTMHQRYOMW-YPKPFQOOSA-N
XLogP2.47
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone (CID 767111) is 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone is [H]/N=c1\sccn1CC(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The InChIKey is MGFAHTMHQRYOMW-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-10-3-5-11(6-4-10)12(16)9-15-7-8-17-13(15)14/h3-8,14H,2,9H2,1H3/b14-13-.
What are the key properties of 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone has a molecular weight of 246.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 767111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).