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

C13H14N2O3S — CID 78916420

IUPACmethyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2cccc(OC)c2)nc1C
InChIInChI=1S/C13H14N2O3S/c1-8-11(12(16)18-3)19-13(14-8)15-9-5-4-6-10(7-9)17-2/h4-7H,1-3H3,(H,14,15)
InChIKeyGKLGYEJQJVARKW-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.99
Rot. Bonds4

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

methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 78916420) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID78916420
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namemethyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2cccc(OC)c2)nc1C
InChIInChI=1S/C13H14N2O3S/c1-8-11(12(16)18-3)19-13(14-8)15-9-5-4-6-10(7-9)17-2/h4-7H,1-3H3,(H,14,15)
InChIKeyGKLGYEJQJVARKW-UHFFFAOYSA-N
XLogP2.99
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569757
N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152980
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78919754
methyl 2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108804689
5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 94694003
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916368
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
methyl 2-[(3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 79017484

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate (CID 78916420) is methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Nc2cccc(OC)c2)nc1C.
What is the InChIKey of methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is GKLGYEJQJVARKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-11(12(16)18-3)19-13(14-8)15-9-5-4-6-10(7-9)17-2/h4-7H,1-3H3,(H,14,15).
What are the key properties of methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 78916420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).