N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine

C23H24ClN3OS — CID 66691081

IUPACN-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine
SMILESCc1cc(Oc2snc(-c3ccccc3)c2Cl)c(C)cc1/N=C/N1CCCCC1
InChIInChI=1S/C23H24ClN3OS/c1-16-14-20(17(2)13-19(16)25-15-27-11-7-4-8-12-27)28-23-21(24)22(26-29-23)18-9-5-3-6-10-18/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3/b25-15+
InChIKeyQCZGDWPWJIISAY-MFKUBSTISA-N
MW425.99 g/mol
LogP7.02
Rot. Bonds5

About N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine

N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine (PubChem CID 66691081) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine.

Molecular Properties

Compound NameN-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine
PubChem CID66691081
Molecular FormulaC23H24ClN3OS
Molecular Weight425.99 g/mol
Exact Mass425.13
IUPAC NameN-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine
SMILESCc1cc(Oc2snc(-c3ccccc3)c2Cl)c(C)cc1/N=C/N1CCCCC1
InChIInChI=1S/C23H24ClN3OS/c1-16-14-20(17(2)13-19(16)25-15-27-11-7-4-8-12-27)28-23-21(24)22(26-29-23)18-9-5-3-6-10-18/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3/b25-15+
InChIKeyQCZGDWPWJIISAY-MFKUBSTISA-N
XLogP7.02
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.99
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine?
The IUPAC name of N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine (CID 66691081) is N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine.
What is the SMILES notation for N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine?
The canonical SMILES for N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine is Cc1cc(Oc2snc(-c3ccccc3)c2Cl)c(C)cc1/N=C/N1CCCCC1.
What is the InChIKey of N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine?
The InChIKey is QCZGDWPWJIISAY-MFKUBSTISA-N. The full InChI is InChI=1S/C23H24ClN3OS/c1-16-14-20(17(2)13-19(16)25-15-27-11-7-4-8-12-27)28-23-21(24)22(26-29-23)18-9-5-3-6-10-18/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3/b25-15+.
What are the key properties of N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine?
N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine has a molecular weight of 425.99 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-1-piperidin-1-ylmethanimine is sourced from PubChem (CID 66691081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).