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

C13H14N2O2S — CID 746628

IUPAC1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(Nc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C13H14N2O2S/c1-8-12(9(2)16)18-13(14-8)15-10-4-6-11(17-3)7-5-10/h4-7H,1-3H3,(H,14,15)
InChIKeyGGVWMEYEQPOQJU-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.41
Rot. Bonds4

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

1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 746628) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID746628
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(Nc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C13H14N2O2S/c1-8-12(9(2)16)18-13(14-8)15-10-4-6-11(17-3)7-5-10/h4-7H,1-3H3,(H,14,15)
InChIKeyGGVWMEYEQPOQJU-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Amino-2-((4-methoxyphenyl)amino)-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399618
Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-fluorophenyl)methanone
CID 1512476
Ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
4-Chloro-2-((4-methoxyphenyl)amino)-1,3-thiazole-5-carbaldehyde
CID 2471296
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
1-[2-[(2-Methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 2443329
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
Ethyl 2-({[4-(4-methoxyphenyl)-1-piperazinyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
CID 6464693
2-(4-Methoxyphenylamino)thiazolo[4,5-B]pyridine-5,7-diol
CID 54696642
N*2*-(4-Methoxy-phenyl)-4'-methyl-[4,5']bithiazolyl-2,2'-diamine
CID 651724
Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 972118

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 746628) is 1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is COc1ccc(Nc2nc(C)c(C(C)=O)s2)cc1.
What is the InChIKey of 1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is GGVWMEYEQPOQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-12(9(2)16)18-13(14-8)15-10-4-6-11(17-3)7-5-10/h4-7H,1-3H3,(H,14,15).
What are the key properties of 1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 262.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 746628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).