4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline

C18H17ClN2OS — CID 151486756

IUPAC4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline
SMILESCc1cc(Oc2cc(Cc3ccc(Cl)cc3)ns2)c(C)cc1N
InChIInChI=1S/C18H17ClN2OS/c1-11-8-17(12(2)7-16(11)20)22-18-10-15(21-23-18)9-13-3-5-14(19)6-4-13/h3-8,10H,9,20H2,1-2H3
InChIKeyPNPSSDWMGUIQGV-UHFFFAOYSA-N
MW344.87 g/mol
LogP5.38
Rot. Bonds4

About 4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline

4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline (PubChem CID 151486756) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is 4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline
PubChem CID151486756
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC Name4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline
SMILESCc1cc(Oc2cc(Cc3ccc(Cl)cc3)ns2)c(C)cc1N
InChIInChI=1S/C18H17ClN2OS/c1-11-8-17(12(2)7-16(11)20)22-18-10-15(21-23-18)9-13-3-5-14(19)6-4-13/h3-8,10H,9,20H2,1-2H3
InChIKeyPNPSSDWMGUIQGV-UHFFFAOYSA-N
XLogP5.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.87
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline 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-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline?
The IUPAC name of 4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline (CID 151486756) is 4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline.
What is the SMILES notation for 4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline?
The canonical SMILES for 4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline is Cc1cc(Oc2cc(Cc3ccc(Cl)cc3)ns2)c(C)cc1N.
What is the InChIKey of 4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline?
The InChIKey is PNPSSDWMGUIQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-11-8-17(12(2)7-16(11)20)22-18-10-15(21-23-18)9-13-3-5-14(19)6-4-13/h3-8,10H,9,20H2,1-2H3.
What are the key properties of 4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline?
4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline has a molecular weight of 344.87 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-yl]oxy]-2,5-dimethylaniline is sourced from PubChem (CID 151486756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).