ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate

C14H16N2O3S — CID 82045365

IUPACethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(N)c2cccc(OC)c2)n1
InChIInChI=1S/C14H16N2O3S/c1-3-19-14(17)11-8-20-13(16-11)12(15)9-5-4-6-10(7-9)18-2/h4-8,12H,3,15H2,1-2H3
InChIKeyIAWSYFQKZKLZDW-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.38
Rot. Bonds5

About ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate (PubChem CID 82045365) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
PubChem CID82045365
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Nameethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(N)c2cccc(OC)c2)n1
InChIInChI=1S/C14H16N2O3S/c1-3-19-14(17)11-8-20-13(16-11)12(15)9-5-4-6-10(7-9)18-2/h4-8,12H,3,15H2,1-2H3
InChIKeyIAWSYFQKZKLZDW-UHFFFAOYSA-N
XLogP2.38
TPSA74.44 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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[amino-(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 82045366
ethyl 2-[amino-(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
CID 82045364
ethyl 2-[amino-(4-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 82045361
ethyl 2-[[(3-methoxybenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1196765
ethyl 2-[[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1198299
diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate
CID 2746946
ethyl 2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)-1,3-thiazole-4-carboxylate
CID 171864491
(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate
CID 175547229
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51146296
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(2-bromo-5-methoxyphenyl)ethanone
CID 116585868
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119765496

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate (CID 82045365) is ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C(N)c2cccc(OC)c2)n1.
What is the InChIKey of ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is IAWSYFQKZKLZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-19-14(17)11-8-20-13(16-11)12(15)9-5-4-6-10(7-9)18-2/h4-8,12H,3,15H2,1-2H3.
What are the key properties of ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 82045365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).