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

C12H12N2OS2 — CID 10849242

IUPAC2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1ccc(SC)cc1
InChIInChI=1S/C12H12N2OS2/c1-16-10-4-2-9(3-5-10)11(15)8-14-6-7-17-12(14)13/h2-7,13H,8H2,1H3/b13-12-
InChIKeyRJGWFUHFKAAZIQ-SEYXRHQNSA-N
MW264.38 g/mol
LogP2.63
Rot. Bonds4

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

2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 10849242) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID10849242
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1ccc(SC)cc1
InChIInChI=1S/C12H12N2OS2/c1-16-10-4-2-9(3-5-10)11(15)8-14-6-7-17-12(14)13/h2-7,13H,8H2,1H3/b13-12-
InChIKeyRJGWFUHFKAAZIQ-SEYXRHQNSA-N
XLogP2.63
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone (CID 10849242) is 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone is [H]/N=c1\sccn1CC(=O)c1ccc(SC)cc1.
What is the InChIKey of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is RJGWFUHFKAAZIQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-16-10-4-2-9(3-5-10)11(15)8-14-6-7-17-12(14)13/h2-7,13H,8H2,1H3/b13-12-.
What are the key properties of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone?
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 264.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 10849242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).