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

C14H16N2O3S — CID 80569757

IUPACmethyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOc1cccc(Nc2nc(C)c(C(=O)OC)s2)c1
InChIInChI=1S/C14H16N2O3S/c1-4-19-11-7-5-6-10(8-11)16-14-15-9(2)12(20-14)13(17)18-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyNGUQNTSJQDTUTP-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.38
Rot. Bonds5

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

methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80569757) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80569757
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namemethyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOc1cccc(Nc2nc(C)c(C(=O)OC)s2)c1
InChIInChI=1S/C14H16N2O3S/c1-4-19-11-7-5-6-10(8-11)16-14-15-9(2)12(20-14)13(17)18-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyNGUQNTSJQDTUTP-UHFFFAOYSA-N
XLogP3.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate
CID 115423970
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
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78919754
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
methyl 2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108804689
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916368
2-[3-(methoxymethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569682
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate (CID 80569757) is methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate is CCOc1cccc(Nc2nc(C)c(C(=O)OC)s2)c1.
What is the InChIKey of methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is NGUQNTSJQDTUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-4-19-11-7-5-6-10(8-11)16-14-15-9(2)12(20-14)13(17)18-3/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80569757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).