4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline

C17H15ClN2OS — CID 58283709

IUPAC4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline
SMILESCc1cc(Oc2snc(-c3ccccc3)c2Cl)c(C)cc1N
InChIInChI=1S/C17H15ClN2OS/c1-10-9-14(11(2)8-13(10)19)21-17-15(18)16(20-22-17)12-6-4-3-5-7-12/h3-9H,19H2,1-2H3
InChIKeyIXFAQNMKCCNKFV-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.45
Rot. Bonds3

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

4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline (PubChem CID 58283709) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline
PubChem CID58283709
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline
SMILESCc1cc(Oc2snc(-c3ccccc3)c2Cl)c(C)cc1N
InChIInChI=1S/C17H15ClN2OS/c1-10-9-14(11(2)8-13(10)19)21-17-15(18)16(20-22-17)12-6-4-3-5-7-12/h3-9H,19H2,1-2H3
InChIKeyIXFAQNMKCCNKFV-UHFFFAOYSA-N
XLogP5.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-chloro-3-phenyl-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

Related Compounds

5-(4-Amino-2,5-dimethylphenoxy)-3-tert-butylisothiazole-4-carbonitrile
CID 58283704
2,5-Dimethyl-4-[(3-phenyl-1,2-thiazol-5-yl)oxy]aniline
CID 58283710
5-(4-Amino-2,5-dimethylphenoxy)-3-(4-chlorobenzyl)isothiazole-4-carbonitrile
CID 58283715
4-[(4-Bromo-3-phenyl-1,2-thiazol-5-yl)oxy]-5-chloro-2-methylaniline
CID 58283717
N'-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 58283721
N-[4-[(3-tert-butyl-4-chloro-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine
CID 66690000
N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
CID 66690209
N-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N',2-dimethylpropanimidamide
CID 66690210
N'-[4-[[3-(2-chlorophenyl)-4-cyano-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66690737
N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 66690744
N'-[4-[(3-benzyl-4-chloro-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 66691018
N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66691043

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline?
The IUPAC name of 4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline (CID 58283709) is 4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline.
What is the SMILES notation for 4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline?
The canonical SMILES for 4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline is Cc1cc(Oc2snc(-c3ccccc3)c2Cl)c(C)cc1N.
What is the InChIKey of 4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline?
The InChIKey is IXFAQNMKCCNKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-10-9-14(11(2)8-13(10)19)21-17-15(18)16(20-22-17)12-6-4-3-5-7-12/h3-9H,19H2,1-2H3.
What are the key properties of 4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline?
4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline has a molecular weight of 330.84 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline is sourced from PubChem (CID 58283709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).