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

C15H18N2O2S — CID 4531470

IUPACethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(C)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-4-19-15(18)13-11(3)17-20-14(13)16-10(2)12-8-6-5-7-9-12/h5-10,16H,4H2,1-3H3
InChIKeyQVVHYDSYBJKVQP-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.80
Rot. Bonds5

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

ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate (PubChem CID 4531470) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate
PubChem CID4531470
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(C)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-4-19-15(18)13-11(3)17-20-14(13)16-10(2)12-8-6-5-7-9-12/h5-10,16H,4H2,1-3H3
InChIKeyQVVHYDSYBJKVQP-UHFFFAOYSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate (CID 4531470) is ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC(C)c1ccccc1.
What is the InChIKey of ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is QVVHYDSYBJKVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-19-15(18)13-11(3)17-20-14(13)16-10(2)12-8-6-5-7-9-12/h5-10,16H,4H2,1-3H3.
What are the key properties of ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(1-phenylethylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 4531470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).