2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

C16H20N2O3S — CID 24712987

IUPAC2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCCc1cccc(OCc2nc(C(=O)NCCOC)cs2)c1
InChIInChI=1S/C16H20N2O3S/c1-3-12-5-4-6-13(9-12)21-10-15-18-14(11-22-15)16(19)17-7-8-20-2/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,17,19)
InChIKeyCHYVFJCJOYDPGR-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.66
Rot. Bonds8

About 2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 24712987) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID24712987
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCCc1cccc(OCc2nc(C(=O)NCCOC)cs2)c1
InChIInChI=1S/C16H20N2O3S/c1-3-12-5-4-6-13(9-12)21-10-15-18-14(11-22-15)16(19)17-7-8-20-2/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,17,19)
InChIKeyCHYVFJCJOYDPGR-UHFFFAOYSA-N
XLogP2.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
2-[(2,6-dimethoxyphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46003443
2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24712618
2-[(3-chlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 24712426
N-benzyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003395
2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide
CID 41365907
N-(2-methoxyethyl)-2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxamide
CID 42867638
2-(2-aminoethyl)-N-[3-(3-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120635005
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440
1-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82308939

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (CID 24712987) is 2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is CCc1cccc(OCc2nc(C(=O)NCCOC)cs2)c1.
What is the InChIKey of 2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CHYVFJCJOYDPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-12-5-4-6-13(9-12)21-10-15-18-14(11-22-15)16(19)17-7-8-20-2/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).