4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

C23H33N3O2S — CID 108750889

IUPAC4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)cc1
InChIInChI=1S/C23H33N3O2S/c1-4-19-7-9-20(10-8-19)28-15-5-6-22(27)25-23-24-18(3)21(29-23)16-26-13-11-17(2)12-14-26/h7-10,17H,4-6,11-16H2,1-3H3,(H,24,25,27)
InChIKeyJPVDWYBBCDNRNG-UHFFFAOYSA-N
MW415.60 g/mol
LogP5.04
Rot. Bonds9

About 4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 108750889) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID108750889
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC Name4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)cc1
InChIInChI=1S/C23H33N3O2S/c1-4-19-7-9-20(10-8-19)28-15-5-6-22(27)25-23-24-18(3)21(29-23)16-26-13-11-17(2)12-14-26/h7-10,17H,4-6,11-16H2,1-3H3,(H,24,25,27)
InChIKeyJPVDWYBBCDNRNG-UHFFFAOYSA-N
XLogP5.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.60
LogP ≤ 55.04
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

4-(4-chlorophenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108750890
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide
CID 19184081
2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108726788
4-(4-tert-butylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]butanamide
CID 108760850
N-(4-fluorophenyl)-N'-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanediamide
CID 108750827
N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673
3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108750793
2,2-dimethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108726727
ethyl 2-[3-(4-ethylphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108807240
3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108750792
2-(1-adamantyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108750801
2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108726679

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (CID 108750889) is 4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is CCc1ccc(OCCCC(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is JPVDWYBBCDNRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-4-19-7-9-20(10-8-19)28-15-5-6-22(27)25-23-24-18(3)21(29-23)16-26-13-11-17(2)12-14-26/h7-10,17H,4-6,11-16H2,1-3H3,(H,24,25,27).
What are the key properties of 4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 415.60 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 108750889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).