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'}

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Related Compounds

4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylaniline
CID 66749808
5-(4-amino-2,5-dimethylphenoxy)-3-[(4-chlorophenyl)methyl]-1,2-thiazole-4-carbonitrile
CID 58283715
3-[(4-chlorophenyl)methyl]-1,2-thiazol-5-amine
CID 131260397
2-(4-amino-2,5-dimethylphenoxy)-4-chlorobenzonitrile
CID 55159990
4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline
CID 79841207
4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline
CID 58283709
4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine
CID 121205787
4-(4-chlorophenyl)-2,5-dimethylaniline
CID 23381822
2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
CID 70504097
2-[(4-chlorophenyl)methyl]-3-methylaniline
CID 70469771
(4-chlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706084
4-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 19812010

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).