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

C14H16N2O2S — CID 3641692

IUPACethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCc2ccccc2)sc1C
InChIInChI=1S/C14H16N2O2S/c1-3-18-13(17)12-10(2)19-14(16-12)15-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyXRHGILXNYJWLHY-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.24
Rot. Bonds5

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

ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 3641692) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID3641692
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCc2ccccc2)sc1C
InChIInChI=1S/C14H16N2O2S/c1-3-18-13(17)12-10(2)19-14(16-12)15-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyXRHGILXNYJWLHY-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-, ethyl ester
CID 3001113
Ethyl 2-benzamido-1,3-thiazole-4-carboxylate
CID 4067950
Ethyl 4-(benzylamino)-3,5-thiazolecarboxylate
CID 15053550
Ethyl 5-methyl-2-[(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
CID 2474286
2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid
CID 1132751
Ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 90655325
Ethyl 2-(4-methylanilino)-1,3-thiazole-4-carboxylate
CID 1284668
Ethyl 2-formamido-4-phenyl-1,3-thiazole-5-carboxylate
CID 44385898
Ethyl 2-(methylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 44385901
Methyl 2-amino-5-benzyl-1,3-thiazole-4-carboxylate
CID 49767430
4-Methyl-2-{[(4-methylphenyl)methyl]amino}-1,3-thiazole-5-carboxylic acid (5e)
CID 9149093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate (CID 3641692) is ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NCc2ccccc2)sc1C.
What is the InChIKey of ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is XRHGILXNYJWLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-13(17)12-10(2)19-14(16-12)15-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 3641692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).