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

C18H22N2O3S — CID 24712618

IUPAC2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCc1cccc(OCc2nc(C(=O)NCC3CCCO3)cs2)c1
InChIInChI=1S/C18H22N2O3S/c1-2-13-5-3-6-14(9-13)23-11-17-20-16(12-24-17)18(21)19-10-15-7-4-8-22-15/h3,5-6,9,12,15H,2,4,7-8,10-11H2,1H3,(H,19,21)
InChIKeyJPSARFPOGZAMMM-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.19
Rot. Bonds7

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

2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 24712618) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID24712618
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCc1cccc(OCc2nc(C(=O)NCC3CCCO3)cs2)c1
InChIInChI=1S/C18H22N2O3S/c1-2-13-5-3-6-14(9-13)23-11-17-20-16(12-24-17)18(21)19-10-15-7-4-8-22-15/h3,5-6,9,12,15H,2,4,7-8,10-11H2,1H3,(H,19,21)
InChIKeyJPSARFPOGZAMMM-UHFFFAOYSA-N
XLogP3.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 36701839
2-[(4-nitrophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003417
2-[(3-ethylphenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712987
2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066606
2-[3-[(4-fluorophenyl)methoxy]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996299
2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996316
2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996325
2-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42866258
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996341
4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 40840716
2-[[(1R)-1-(3-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 98183974
2-[4-[(3,5-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46065976

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 24712618) is 2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide is CCc1cccc(OCc2nc(C(=O)NCC3CCCO3)cs2)c1.
What is the InChIKey of 2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JPSARFPOGZAMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-13-5-3-6-14(9-13)23-11-17-20-16(12-24-17)18(21)19-10-15-7-4-8-22-15/h3,5-6,9,12,15H,2,4,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.19, 7 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-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).