N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide

C21H24N2O3S — CID 46008571

IUPACN-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
SMILESCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccco1
InChIInChI=1S/C21H24N2O3S/c1-5-23(21(24)18-7-6-8-25-18)11-17-13-27-20(22-17)12-26-19-10-14(2)9-15(3)16(19)4/h6-10,13H,5,11-12H2,1-4H3
InChIKeyAXWMOXDNKVFPNX-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.90
Rot. Bonds7

About N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide

N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide (PubChem CID 46008571) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
PubChem CID46008571
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
SMILESCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccco1
InChIInChI=1S/C21H24N2O3S/c1-5-23(21(24)18-7-6-8-25-18)11-17-13-27-20(22-17)12-26-19-10-14(2)9-15(3)16(19)4/h6-10,13H,5,11-12H2,1-4H3
InChIKeyAXWMOXDNKVFPNX-UHFFFAOYSA-N
XLogP4.90
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-prop-2-enyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 46008633
2-methyl-N-(2-methylpropyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008524
N-(2-methoxyethyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 46008528
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 46009384
N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 46008044
2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42837358
3-methyl-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008551
4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008646
N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-prop-2-enylfuran-2-carboxamide
CID 46008175
N-[(2R)-butan-2-yl]-2-methoxy-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165250
2-fluoro-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008543
N-[(2S)-butan-2-yl]-4-chloro-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165239

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide (CID 46008571) is N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide is CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccco1.
What is the InChIKey of N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide?
The InChIKey is AXWMOXDNKVFPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-5-23(21(24)18-7-6-8-25-18)11-17-13-27-20(22-17)12-26-19-10-14(2)9-15(3)16(19)4/h6-10,13H,5,11-12H2,1-4H3.
What are the key properties of N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide?
N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46008571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).