ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate

C12H12N2O2S — CID 12603728

IUPACethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)sc1-c1ccccc1
InChIInChI=1S/C12H12N2O2S/c1-2-16-11(15)9-10(17-12(13)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyNFBPADMTYAJYRI-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.57
Rot. Bonds3

About ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate

ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 12603728) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
PubChem CID12603728
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Nameethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)sc1-c1ccccc1
InChIInChI=1S/C12H12N2O2S/c1-2-16-11(15)9-10(17-12(13)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyNFBPADMTYAJYRI-UHFFFAOYSA-N
XLogP2.57
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
Methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
CID 664327
Ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 3641692
Methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 2029361
Methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 2763352
Ethyl 5-methyl-2-[(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
CID 2474286
2-Amino-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 18322993
2-Azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 168719749
Methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 2768483
Methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate
CID 2768487
Ethyl 2-(methylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 44385901
Methyl 2-amino-5-benzyl-1,3-thiazole-4-carboxylate
CID 49767430

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate (CID 12603728) is ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N)sc1-c1ccccc1.
What is the InChIKey of ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is NFBPADMTYAJYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-16-11(15)9-10(17-12(13)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate?
ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 12603728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).