1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone

C12H11NO2S2 — CID 118352312

IUPAC1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1cccc(Sc2ncc(C(C)=O)s2)c1
InChIInChI=1S/C12H11NO2S2/c1-8(14)11-7-13-12(17-11)16-10-5-3-4-9(6-10)15-2/h3-7H,1-2H3
InChIKeyYGWLWJKVVXKSTE-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.51
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone

1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone (PubChem CID 118352312) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone
PubChem CID118352312
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1cccc(Sc2ncc(C(C)=O)s2)c1
InChIInChI=1S/C12H11NO2S2/c1-8(14)11-7-13-12(17-11)16-10-5-3-4-9(6-10)15-2/h3-7H,1-2H3
InChIKeyYGWLWJKVVXKSTE-UHFFFAOYSA-N
XLogP3.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenylsulfanyl-1,3-thiazole-5-carboxylic acid
CID 22350426
1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone
CID 144908684
nitroso 3-(3-methoxyphenyl)sulfanylpyridine-4-carboxylate
CID 175595192
4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one
CID 90975566
1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 62652088
S-(3-methoxyphenyl) N,N-diethylcarbamothioate
CID 10847603
3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 152763783
6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde
CID 80640763
diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate
CID 2746946
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
CID 66280907
1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585010

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone (CID 118352312) is 1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone is COc1cccc(Sc2ncc(C(C)=O)s2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is YGWLWJKVVXKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S2/c1-8(14)11-7-13-12(17-11)16-10-5-3-4-9(6-10)15-2/h3-7H,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone?
1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 265.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 118352312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).