1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone

C11H10N2OS2 — CID 10243848

IUPAC1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1ccc(N)c(Sc2nccs2)c1
InChIInChI=1S/C11H10N2OS2/c1-7(14)8-2-3-9(12)10(6-8)16-11-13-4-5-15-11/h2-6H,12H2,1H3
InChIKeyGCPFGFFHAHLHTM-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.08
Rot. Bonds3

About 1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone

1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone (PubChem CID 10243848) has the molecular formula C11H10N2OS2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone
PubChem CID10243848
Molecular FormulaC11H10N2OS2
Molecular Weight250.35 g/mol
Exact Mass250.02
IUPAC Name1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1ccc(N)c(Sc2nccs2)c1
InChIInChI=1S/C11H10N2OS2/c1-7(14)8-2-3-9(12)10(6-8)16-11-13-4-5-15-11/h2-6H,12H2,1H3
InChIKeyGCPFGFFHAHLHTM-UHFFFAOYSA-N
XLogP3.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone?
The IUPAC name of 1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone (CID 10243848) is 1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone is CC(=O)c1ccc(N)c(Sc2nccs2)c1.
What is the InChIKey of 1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone?
The InChIKey is GCPFGFFHAHLHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS2/c1-7(14)8-2-3-9(12)10(6-8)16-11-13-4-5-15-11/h2-6H,12H2,1H3.
What are the key properties of 1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone?
1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone has a molecular weight of 250.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 10243848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).