ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate

C15H16N2O3S — CID 99816625

IUPACethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CC(=O)NCc2ccccc2)n1
InChIInChI=1S/C15H16N2O3S/c1-2-20-15(19)12-10-21-14(17-12)8-13(18)16-9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,18)
InChIKeyAODKZBFJMNRKLM-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.18
Rot. Bonds6

About ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate

ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate (PubChem CID 99816625) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
PubChem CID99816625
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CC(=O)NCc2ccccc2)n1
InChIInChI=1S/C15H16N2O3S/c1-2-20-15(19)12-10-21-14(17-12)8-13(18)16-9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,18)
InChIKeyAODKZBFJMNRKLM-UHFFFAOYSA-N
XLogP2.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
CID 137320111
ethyl 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 120596964
ethyl 2-[[(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 19864880
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-methoxy-4-methylbenzoate
CID 24631415
2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide
CID 9232942
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate (CID 99816625) is ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CC(=O)NCc2ccccc2)n1.
What is the InChIKey of ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate?
The InChIKey is AODKZBFJMNRKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-20-15(19)12-10-21-14(17-12)8-13(18)16-9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,18).
What are the key properties of ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 99816625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).