N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C14H16N2O3S — CID 18169105

IUPACN-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCCONC(=O)c1csc(COc2ccc(C)cc2)n1
InChIInChI=1S/C14H16N2O3S/c1-3-19-16-14(17)12-9-20-13(15-12)8-18-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyAXTDGDDHCSMXDI-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.71
Rot. Bonds6

About N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 18169105) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID18169105
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCCONC(=O)c1csc(COc2ccc(C)cc2)n1
InChIInChI=1S/C14H16N2O3S/c1-3-19-16-14(17)12-9-20-13(15-12)8-18-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyAXTDGDDHCSMXDI-UHFFFAOYSA-N
XLogP2.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105822
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbonyl]amino]thiophene-3-carboxylate
CID 34171843
N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 56809028
2-benzoyloxyethyl 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 43056522
N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 25443390
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 46648475
2-[(4-methylphenoxy)methyl]-N-[(1S,2S)-2-(pentanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014451
N-[(1R,2S)-2-[(4-ethylbenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014537
N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 24541645
N-[2-[(3-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105843

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 18169105) is N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is CCONC(=O)c1csc(COc2ccc(C)cc2)n1.
What is the InChIKey of N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AXTDGDDHCSMXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-19-16-14(17)12-9-20-13(15-12)8-18-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18169105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).