N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine

C21H23N3OS — CID 45143052

IUPACN-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine
SMILESCc1cccc(C)c1/N=c1\scc(-c2ccccc2)n1N1CCOCC1
InChIInChI=1S/C21H23N3OS/c1-16-7-6-8-17(2)20(16)22-21-24(23-11-13-25-14-12-23)19(15-26-21)18-9-4-3-5-10-18/h3-10,15H,11-14H2,1-2H3/b22-21-
InChIKeyKXXMIDRWVMLDSR-DQRAZIAOSA-N
MW365.50 g/mol
LogP4.03
Rot. Bonds3

About N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine

N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine (PubChem CID 45143052) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine
PubChem CID45143052
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine
SMILESCc1cccc(C)c1/N=c1\scc(-c2ccccc2)n1N1CCOCC1
InChIInChI=1S/C21H23N3OS/c1-16-7-6-8-17(2)20(16)22-21-24(23-11-13-25-14-12-23)19(15-26-21)18-9-4-3-5-10-18/h3-10,15H,11-14H2,1-2H3/b22-21-
InChIKeyKXXMIDRWVMLDSR-DQRAZIAOSA-N
XLogP4.03
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine (CID 45143052) is N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine is Cc1cccc(C)c1/N=c1\scc(-c2ccccc2)n1N1CCOCC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is KXXMIDRWVMLDSR-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-16-7-6-8-17(2)20(16)22-21-24(23-11-13-25-14-12-23)19(15-26-21)18-9-4-3-5-10-18/h3-10,15H,11-14H2,1-2H3/b22-21-.
What are the key properties of N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine?
N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 365.50 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 45143052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).