methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate

C14H14N2O3S — CID 106696860

IUPACmethyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Nc2cccc(C)c2)sc1C(C)=O
InChIInChI=1S/C14H14N2O3S/c1-8-5-4-6-10(7-8)15-14-16-11(13(18)19-3)12(20-14)9(2)17/h4-7H,1-3H3,(H,15,16)
InChIKeyBWWBISURFRBZIM-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.18
Rot. Bonds4

About methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate

methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 106696860) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate
PubChem CID106696860
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Nc2cccc(C)c2)sc1C(C)=O
InChIInChI=1S/C14H14N2O3S/c1-8-5-4-6-10(7-8)15-14-16-11(13(18)19-3)12(20-14)9(2)17/h4-7H,1-3H3,(H,15,16)
InChIKeyBWWBISURFRBZIM-UHFFFAOYSA-N
XLogP3.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576
methyl 5-acetyl-2-(3-fluoro-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 106696831
ethyl 5-acetyl-2-(3-bromoanilino)-1,3-thiazole-4-carboxylate
CID 107377026
methyl 5-acetyl-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxylate
CID 106696789
methyl 5-acetyl-2-(3-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 106698059
methyl 5-acetyl-2-(4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 106696803
methyl 5-acetyl-2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 106697935
methyl 5-acetyl-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 106696667
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423276
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
5-acetyl-2-(3-methylsulfanylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696714

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate (CID 106696860) is methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(Nc2cccc(C)c2)sc1C(C)=O.
What is the InChIKey of methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is BWWBISURFRBZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-5-4-6-10(7-8)15-14-16-11(13(18)19-3)12(20-14)9(2)17/h4-7H,1-3H3,(H,15,16).
What are the key properties of methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106696860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).