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

C13H14N2O2S — CID 2779643

IUPACethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ccccc2)s1
InChIInChI=1S/C13H14N2O2S/c1-2-17-12(16)11-9-15-13(18-11)14-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)
InChIKeyHRPUUSIPGYVPBZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.93
Rot. Bonds5

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

ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate (PubChem CID 2779643) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate
PubChem CID2779643
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Nameethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ccccc2)s1
InChIInChI=1S/C13H14N2O2S/c1-2-17-12(16)11-9-15-13(18-11)14-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)
InChIKeyHRPUUSIPGYVPBZ-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate (CID 2779643) is ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(NCc2ccccc2)s1.
What is the InChIKey of ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is HRPUUSIPGYVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-17-12(16)11-9-15-13(18-11)14-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate?
ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2779643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).