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'}

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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).