ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate

C14H16N2O2S — CID 104840726

IUPACethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cccc(N)c2)nc1CC
InChIInChI=1S/C14H16N2O2S/c1-3-11-12(14(17)18-4-2)19-13(16-11)9-6-5-7-10(15)8-9/h5-8H,3-4,15H2,1-2H3
InChIKeyYTAHWJPLSOGTAA-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.13
Rot. Bonds4

About ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate

ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 104840726) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID104840726
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cccc(N)c2)nc1CC
InChIInChI=1S/C14H16N2O2S/c1-3-11-12(14(17)18-4-2)19-13(16-11)9-6-5-7-10(15)8-9/h5-8H,3-4,15H2,1-2H3
InChIKeyYTAHWJPLSOGTAA-UHFFFAOYSA-N
XLogP3.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114358841
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 4-(bromomethyl)-2-(4-phenylphenyl)-1,3-thiazole-5-carboxylate
CID 143535277
2-(3-aminophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58326660
4-ethyl-2-(3-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82428610
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
ethyl 2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 67459217
ethyl 4-methyl-2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 47061933
ethyl 4-(2-ethyl-3-methylbutyl)-2-phenyl-1,3-thiazole-5-carboxylate
CID 91005823
ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 83777894
5-acetyl-2-(3-aminophenyl)-1,3-thiazole-4-carboxylic acid
CID 107380226
ethyl 4-phenyl-2-(3-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxylate
CID 168514563

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate (CID 104840726) is ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2cccc(N)c2)nc1CC.
What is the InChIKey of ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is YTAHWJPLSOGTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-11-12(14(17)18-4-2)19-13(16-11)9-6-5-7-10(15)8-9/h5-8H,3-4,15H2,1-2H3.
What are the key properties of ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate?
ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 104840726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).