4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine

C28H34Cl2N2O3S — CID 57149312

IUPAC4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(COCCOC1CCCCO1)c1ccccc1
InChIInChI=1S/C28H34Cl2N2O3S/c1-3-14-32(28-31-27(20(2)36-28)23-13-12-22(29)18-24(23)30)25(21-9-5-4-6-10-21)19-33-16-17-35-26-11-7-8-15-34-26/h4-6,9-10,12-13,18,25-26H,3,7-8,11,14-17,19H2,1-2H3
InChIKeyGPEZHKRGRNQTBF-UHFFFAOYSA-N
MW549.56 g/mol
LogP7.94
Rot. Bonds12

About 4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 57149312) has the molecular formula C28H34Cl2N2O3S and a molecular weight of 549.56 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID57149312
Molecular FormulaC28H34Cl2N2O3S
Molecular Weight549.56 g/mol
Exact Mass548.17
IUPAC Name4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(COCCOC1CCCCO1)c1ccccc1
InChIInChI=1S/C28H34Cl2N2O3S/c1-3-14-32(28-31-27(20(2)36-28)23-13-12-22(29)18-24(23)30)25(21-9-5-4-6-10-21)19-33-16-17-35-26-11-7-8-15-34-26/h4-6,9-10,12-13,18,25-26H,3,7-8,11,14-17,19H2,1-2H3
InChIKeyGPEZHKRGRNQTBF-UHFFFAOYSA-N
XLogP7.94
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.56
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]-2-phenylethyl] acetate
CID 15291627
4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 18967770
2-cyclopropyl-2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]-1-(1H-imidazol-5-yl)ethanone
CID 139631526
4-(2-chloro-4-methoxy-5-methylphenyl)-5-methyl-N-[(1S)-1-phenylpentyl]-N-prop-2-ynyl-1,3-thiazol-2-amine
CID 87619591
N-[(1S)-2-cyclopropyl-1-phenylethyl]-1-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,2,4-triazol-3-amine
CID 10276671
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[3-(3,4-dichlorophenyl)butoxy]oxane
CID 57302396
2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane
CID 170630411
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390
2-(2-phenoxyethoxy)oxane
CID 11736193

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine (CID 57149312) is 4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(COCCOC1CCCCO1)c1ccccc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is GPEZHKRGRNQTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34Cl2N2O3S/c1-3-14-32(28-31-27(20(2)36-28)23-13-12-22(29)18-24(23)30)25(21-9-5-4-6-10-21)19-33-16-17-35-26-11-7-8-15-34-26/h4-6,9-10,12-13,18,25-26H,3,7-8,11,14-17,19H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 549.56 g/mol, XLogP of 7.94, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 57149312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).