N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide

C18H19N3O2S — CID 75508954

IUPACN-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1cc(NC(=O)c2sc(COC)nc2C)c2ccccc2n1
InChIInChI=1S/C18H19N3O2S/c1-4-12-9-15(13-7-5-6-8-14(13)20-12)21-18(22)17-11(2)19-16(24-17)10-23-3/h5-9H,4,10H2,1-3H3,(H,20,21,22)
InChIKeyVMLIEQAQEALZKH-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.96
Rot. Bonds5

About N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 75508954) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID75508954
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1cc(NC(=O)c2sc(COC)nc2C)c2ccccc2n1
InChIInChI=1S/C18H19N3O2S/c1-4-12-9-15(13-7-5-6-8-14(13)20-12)21-18(22)17-11(2)19-16(24-17)10-23-3/h5-9H,4,10H2,1-3H3,(H,20,21,22)
InChIKeyVMLIEQAQEALZKH-UHFFFAOYSA-N
XLogP3.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 75508954) is N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1cc(NC(=O)c2sc(COC)nc2C)c2ccccc2n1.
What is the InChIKey of N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VMLIEQAQEALZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-4-12-9-15(13-7-5-6-8-14(13)20-12)21-18(22)17-11(2)19-16(24-17)10-23-3/h5-9H,4,10H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75508954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).