1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone

C13H14N2OS2 — CID 79375148

IUPAC1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone
SMILESCSc1cccc(Nc2snc(C)c2C(C)=O)c1
InChIInChI=1S/C13H14N2OS2/c1-8-12(9(2)16)13(18-15-8)14-10-5-4-6-11(7-10)17-3/h4-7,14H,1-3H3
InChIKeyYGOXTFZLMCAMBM-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.12
Rot. Bonds4

About 1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone (PubChem CID 79375148) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone
PubChem CID79375148
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone
SMILESCSc1cccc(Nc2snc(C)c2C(C)=O)c1
InChIInChI=1S/C13H14N2OS2/c1-8-12(9(2)16)13(18-15-8)14-10-5-4-6-11(7-10)17-3/h4-7,14H,1-3H3
InChIKeyYGOXTFZLMCAMBM-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375410
5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401895
1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone
CID 79371636
5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79403075
1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone
CID 107587099
1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375825
5-acetyl-2-(3-methylsulfanylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696714
ethyl 5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376080
1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 106760958
1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79376448
5-[4-fluoro-3-(trifluoromethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397206
1-[3-methyl-5-[(3-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363944

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone (CID 79375148) is 1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone is CSc1cccc(Nc2snc(C)c2C(C)=O)c1.
What is the InChIKey of 1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone?
The InChIKey is YGOXTFZLMCAMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-8-12(9(2)16)13(18-15-8)14-10-5-4-6-11(7-10)17-3/h4-7,14H,1-3H3.
What are the key properties of 1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone has a molecular weight of 278.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79375148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).