4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine

C20H15Cl2N3O2S — CID 2746445

IUPAC4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1Nc1nc(-c2c(-c3ccc(Cl)cc3Cl)noc2C)cs1
InChIInChI=1S/C20H15Cl2N3O2S/c1-11-18(19(25-27-11)13-8-7-12(21)9-14(13)22)16-10-28-20(24-16)23-15-5-3-4-6-17(15)26-2/h3-10H,1-2H3,(H,23,24)
InChIKeyJKAZENOFOZTRGG-UHFFFAOYSA-N
MW432.33 g/mol
LogP6.83
Rot. Bonds5

About 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine

4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 2746445) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID2746445
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC Name4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1Nc1nc(-c2c(-c3ccc(Cl)cc3Cl)noc2C)cs1
InChIInChI=1S/C20H15Cl2N3O2S/c1-11-18(19(25-27-11)13-8-7-12(21)9-14(13)22)16-10-28-20(24-16)23-15-5-3-4-6-17(15)26-2/h3-10H,1-2H3,(H,23,24)
InChIKeyJKAZENOFOZTRGG-UHFFFAOYSA-N
XLogP6.83
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine (CID 2746445) is 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccccc1Nc1nc(-c2c(-c3ccc(Cl)cc3Cl)noc2C)cs1.
What is the InChIKey of 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is JKAZENOFOZTRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c1-11-18(19(25-27-11)13-8-7-12(21)9-14(13)22)16-10-28-20(24-16)23-15-5-3-4-6-17(15)26-2/h3-10H,1-2H3,(H,23,24).
What are the key properties of 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine?
4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 432.33 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2746445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).