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

C19H13Cl2N3O2S — CID 134816946

IUPACN-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2cc(-c3csc(Nc4cc(Cl)cc(Cl)c4)n3)on2)cc1
InChIInChI=1S/C19H13Cl2N3O2S/c1-25-15-4-2-11(3-5-15)16-9-18(26-24-16)17-10-27-19(23-17)22-14-7-12(20)6-13(21)8-14/h2-10H,1H3,(H,22,23)
InChIKeyPHYCEVRSZBEPBU-UHFFFAOYSA-N
MW418.31 g/mol
LogP6.52
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 134816946) has the molecular formula C19H13Cl2N3O2S and a molecular weight of 418.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
PubChem CID134816946
Molecular FormulaC19H13Cl2N3O2S
Molecular Weight418.31 g/mol
Exact Mass417.01
IUPAC NameN-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2cc(-c3csc(Nc4cc(Cl)cc(Cl)c4)n3)on2)cc1
InChIInChI=1S/C19H13Cl2N3O2S/c1-25-15-4-2-11(3-5-15)16-9-18(26-24-16)17-10-27-19(23-17)22-14-7-12(20)6-13(21)8-14/h2-10H,1H3,(H,22,23)
InChIKeyPHYCEVRSZBEPBU-UHFFFAOYSA-N
XLogP6.52
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.31
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-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 N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine (CID 134816946) is N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine is COc1ccc(-c2cc(-c3csc(Nc4cc(Cl)cc(Cl)c4)n3)on2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is PHYCEVRSZBEPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O2S/c1-25-15-4-2-11(3-5-15)16-9-18(26-24-16)17-10-27-19(23-17)22-14-7-12(20)6-13(21)8-14/h2-10H,1H3,(H,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 418.31 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 134816946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).