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

C15H18N2O2S — CID 2474286

IUPACethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCCc2ccccc2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-3-19-14(18)13-11(2)20-15(17-13)16-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyPWMKNXQNIPVSRQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.28
Rot. Bonds6

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

ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 2474286) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate
PubChem CID2474286
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCCc2ccccc2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-3-19-14(18)13-11(2)20-15(17-13)16-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyPWMKNXQNIPVSRQ-UHFFFAOYSA-N
XLogP3.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
CID 664327
4-Methyl-2-[(2-phenylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 4961858
Ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 3641692
Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
CID 752042
4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-, ethyl ester
CID 3001113
Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2072961
Ethyl 4-(benzylamino)-3,5-thiazolecarboxylate
CID 15053550
Ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1422195
Methyl 2-amino-5-benzyl-1,3-thiazole-4-carboxylate
CID 49767430
Ethyl 2-(3-(4-fluorobenzyl)ureido)-4-methylthiazole-5-carboxylate
CID 45503672
Ethyl 4-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 90655329
Ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate
CID 127048457

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate (CID 2474286) is ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NCCc2ccccc2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is PWMKNXQNIPVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-19-14(18)13-11(2)20-15(17-13)16-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2474286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).