ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine

C20H24N2O3S — CID 70160605

IUPACethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine
SMILESCCOC(=O)c1csc(-c2ccc(OCC)c3ccccc23)n1.CNC
InChIInChI=1S/C18H17NO3S.C2H7N/c1-3-21-16-10-9-14(12-7-5-6-8-13(12)16)17-19-15(11-23-17)18(20)22-4-2;1-3-2/h5-11H,3-4H2,1-2H3;3H,1-2H3
InChIKeyIBPQVKLIJCDOHH-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.37
Rot. Bonds5

About ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine

ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine (PubChem CID 70160605) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine.

Molecular Properties

Compound Nameethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine
PubChem CID70160605
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Nameethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine
SMILESCCOC(=O)c1csc(-c2ccc(OCC)c3ccccc23)n1.CNC
InChIInChI=1S/C18H17NO3S.C2H7N/c1-3-21-16-10-9-14(12-7-5-6-8-13(12)16)17-19-15(11-23-17)18(20)22-4-2;1-3-2/h5-11H,3-4H2,1-2H3;3H,1-2H3
InChIKeyIBPQVKLIJCDOHH-UHFFFAOYSA-N
XLogP4.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine?
The IUPAC name of ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine (CID 70160605) is ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine.
What is the SMILES notation for ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine?
The canonical SMILES for ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine is CCOC(=O)c1csc(-c2ccc(OCC)c3ccccc23)n1.CNC.
What is the InChIKey of ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine?
The InChIKey is IBPQVKLIJCDOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S.C2H7N/c1-3-21-16-10-9-14(12-7-5-6-8-13(12)16)17-19-15(11-23-17)18(20)22-4-2;1-3-2/h5-11H,3-4H2,1-2H3;3H,1-2H3.
What are the key properties of ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine?
ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine has a molecular weight of 372.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine is sourced from PubChem (CID 70160605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).