ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate

C14H16N2O2S — CID 129370103

IUPACethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-3-18-14(17)12-13(19-9-15-12)16-10(2)11-7-5-4-6-8-11/h4-10,16H,3H2,1-2H3/t10-/m0/s1
InChIKeyDJNGZWPZXFMCLM-JTQLQIEISA-N
MW276.36 g/mol
LogP3.49
Rot. Bonds5

About ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate

ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 129370103) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID129370103
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-3-18-14(17)12-13(19-9-15-12)16-10(2)11-7-5-4-6-8-11/h4-10,16H,3H2,1-2H3/t10-/m0/s1
InChIKeyDJNGZWPZXFMCLM-JTQLQIEISA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-benzamido-1,3-thiazole-4-carboxylate
CID 102425607
ethyl 5-(3,3-dimethylbutan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 113458065
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
ethyl 6-oxo-1-phenyl-4-[[(1S)-1-phenylethyl]amino]pyridazine-3-carboxylate
CID 27646514
ethyl 5-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 106015850
ethyl 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1,3-thiazole-4-carboxylate
CID 66407798
ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate
CID 106279442
ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate
CID 10959994
ethyl 3-bromo-4-(1-phenylethylamino)benzoate
CID 43684354
ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
CID 113011907
ethyl N-[[(1S)-1-phenylethyl]amino]carbamate
CID 76967986
ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate
CID 116526509

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate (CID 129370103) is ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1N[C@@H](C)c1ccccc1.
What is the InChIKey of ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is DJNGZWPZXFMCLM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-14(17)12-13(19-9-15-12)16-10(2)11-7-5-4-6-8-11/h4-10,16H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 129370103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).