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

C14H16N2O2S — CID 843576

IUPACethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCc1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-3-18-14(17)12-10(2)16-19-13(12)15-9-11-7-5-4-6-8-11/h4-8,15H,3,9H2,1-2H3
InChIKeyIULMJGDVSXDQMN-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.24
Rot. Bonds5

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

ethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 843576) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID843576
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCc1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-3-18-14(17)12-10(2)16-19-13(12)15-9-11-7-5-4-6-8-11/h4-8,15H,3,9H2,1-2H3
InChIKeyIULMJGDVSXDQMN-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate (CID 843576) is ethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NCc1ccccc1.
What is the InChIKey of ethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is IULMJGDVSXDQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-14(17)12-10(2)16-19-13(12)15-9-11-7-5-4-6-8-11/h4-8,15H,3,9H2,1-2H3.
What are the key properties of ethyl 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-(benzylamino)-3-methyl-1,2-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 5-(benzylamino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 843576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).