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

C24H28Cl2N2O2S — CID 18967784

IUPAC4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(COC(C)OC)c1ccccc1
InChIInChI=1S/C24H28Cl2N2O2S/c1-5-13-28(22(15-30-17(3)29-4)18-9-7-6-8-10-18)24-27-23(16(2)31-24)20-12-11-19(25)14-21(20)26/h6-12,14,17,22H,5,13,15H2,1-4H3
InChIKeyPLHDTJDFNQTHRV-UHFFFAOYSA-N
MW479.47 g/mol
LogP7.39
Rot. Bonds10

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

4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 18967784) has the molecular formula C24H28Cl2N2O2S and a molecular weight of 479.47 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID18967784
Molecular FormulaC24H28Cl2N2O2S
Molecular Weight479.47 g/mol
Exact Mass478.12
IUPAC Name4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(COC(C)OC)c1ccccc1
InChIInChI=1S/C24H28Cl2N2O2S/c1-5-13-28(22(15-30-17(3)29-4)18-9-7-6-8-10-18)24-27-23(16(2)31-24)20-12-11-19(25)14-21(20)26/h6-12,14,17,22H,5,13,15H2,1-4H3
InChIKeyPLHDTJDFNQTHRV-UHFFFAOYSA-N
XLogP7.39
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine (CID 18967784) is 4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(COC(C)OC)c1ccccc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is PLHDTJDFNQTHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O2S/c1-5-13-28(22(15-30-17(3)29-4)18-9-7-6-8-10-18)24-27-23(16(2)31-24)20-12-11-19(25)14-21(20)26/h6-12,14,17,22H,5,13,15H2,1-4H3.
What are the key properties of 4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 479.47 g/mol, XLogP of 7.39, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 18967784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).