5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C16H22N2O4S — CID 154763098

IUPAC5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCOC(C)c1nc(CN(C)Cc2cc(C(=O)O)c(C)o2)cs1
InChIInChI=1S/C16H22N2O4S/c1-5-21-11(3)15-17-12(9-23-15)7-18(4)8-13-6-14(16(19)20)10(2)22-13/h6,9,11H,5,7-8H2,1-4H3,(H,19,20)
InChIKeyCSSZEZUUAYNRMM-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.47
Rot. Bonds8

About 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 154763098) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID154763098
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCOC(C)c1nc(CN(C)Cc2cc(C(=O)O)c(C)o2)cs1
InChIInChI=1S/C16H22N2O4S/c1-5-21-11(3)15-17-12(9-23-15)7-18(4)8-13-6-14(16(19)20)10(2)22-13/h6,9,11H,5,7-8H2,1-4H3,(H,19,20)
InChIKeyCSSZEZUUAYNRMM-UHFFFAOYSA-N
XLogP3.47
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63585605
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 43477425
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 55261157
(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 119895740
2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid
CID 119221935
5-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221877
(1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 129378203
2-methyl-5-[[methyl(3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 43570316
5-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 79386693
2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
CID 120597304
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 71987205
2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 54999877

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 154763098) is 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid is CCOC(C)c1nc(CN(C)Cc2cc(C(=O)O)c(C)o2)cs1.
What is the InChIKey of 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is CSSZEZUUAYNRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-5-21-11(3)15-17-12(9-23-15)7-18(4)8-13-6-14(16(19)20)10(2)22-13/h6,9,11H,5,7-8H2,1-4H3,(H,19,20).
What are the key properties of 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 338.43 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 154763098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).