[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C20H20N2O3S — CID 16519656

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCCN(C(=O)COC(=O)c1sc(C)nc1C)c1cccc2ccccc12
InChIInChI=1S/C20H20N2O3S/c1-4-22(17-11-7-9-15-8-5-6-10-16(15)17)18(23)12-25-20(24)19-13(2)21-14(3)26-19/h5-11H,4,12H2,1-3H3
InChIKeyJHMGIFBEDBDHCD-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.12
Rot. Bonds5

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 16519656) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID16519656
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCCN(C(=O)COC(=O)c1sc(C)nc1C)c1cccc2ccccc12
InChIInChI=1S/C20H20N2O3S/c1-4-22(17-11-7-9-15-8-5-6-10-16(15)17)18(23)12-25-20(24)19-13(2)21-14(3)26-19/h5-11H,4,12H2,1-3H3
InChIKeyJHMGIFBEDBDHCD-UHFFFAOYSA-N
XLogP4.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 16519656) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is CCN(C(=O)COC(=O)c1sc(C)nc1C)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is JHMGIFBEDBDHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-4-22(17-11-7-9-15-8-5-6-10-16(15)17)18(23)12-25-20(24)19-13(2)21-14(3)26-19/h5-11H,4,12H2,1-3H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 16519656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).