3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

C25H30N2O3S — CID 46008550

IUPAC3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3C)n2)C(C)C)c1
InChIInChI=1S/C25H30N2O3S/c1-16(2)27(25(28)20-8-7-9-22(12-20)29-6)13-21-15-31-24(26-21)14-30-23-11-17(3)10-18(4)19(23)5/h7-12,15-16H,13-14H2,1-6H3
InChIKeySPBRNBKVDDTXME-UHFFFAOYSA-N
MW438.59 g/mol
LogP5.71
Rot. Bonds8

About 3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 46008550) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID46008550
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC Name3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3C)n2)C(C)C)c1
InChIInChI=1S/C25H30N2O3S/c1-16(2)27(25(28)20-8-7-9-22(12-20)29-6)13-21-15-31-24(26-21)14-30-23-11-17(3)10-18(4)19(23)5/h7-12,15-16H,13-14H2,1-6H3
InChIKeySPBRNBKVDDTXME-UHFFFAOYSA-N
XLogP5.71
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008551
2-fluoro-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008543
4-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008646
N-[(2R)-butan-2-yl]-2-methoxy-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165250
N-[(2S)-butan-2-yl]-4-chloro-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165239
4-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46008746
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-propan-2-ylbenzamide
CID 42837405
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42837427
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46009294
2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42837358
3-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008078
2-methyl-N-(2-methylpropyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008524

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (CID 46008550) is 3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is COc1cccc(C(=O)N(Cc2csc(COc3cc(C)cc(C)c3C)n2)C(C)C)c1.
What is the InChIKey of 3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is SPBRNBKVDDTXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-16(2)27(25(28)20-8-7-9-22(12-20)29-6)13-21-15-31-24(26-21)14-30-23-11-17(3)10-18(4)19(23)5/h7-12,15-16H,13-14H2,1-6H3.
What are the key properties of 3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 438.59 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46008550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).