ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate

C16H14N2O2S — CID 53440975

IUPACethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1cccc2ccccc12
InChIInChI=1S/C16H14N2O2S/c1-2-20-15(19)14-13(18-16(17)21-14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,17,18)
InChIKeyPKROJIFADVVVEG-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.72
Rot. Bonds3

About ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate (PubChem CID 53440975) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate
PubChem CID53440975
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Nameethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1cccc2ccccc12
InChIInChI=1S/C16H14N2O2S/c1-2-20-15(19)14-13(18-16(17)21-14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,17,18)
InChIKeyPKROJIFADVVVEG-UHFFFAOYSA-N
XLogP3.72
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
CID 90477363
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477373
ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
CID 34173292
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate
CID 159653077
ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
CID 53404405
bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate
CID 59864723
ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate
CID 59864685
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate (CID 53440975) is ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1-c1cccc2ccccc12.
What is the InChIKey of ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate?
The InChIKey is PKROJIFADVVVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-2-20-15(19)14-13(18-16(17)21-14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,17,18).
What are the key properties of ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate has a molecular weight of 298.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 53440975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).