N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine

C16H21N3OS — CID 8669893

IUPACN-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
SMILESCc1ccc(C)c(/N=c2\scc(C)n2N2CCOCC2)c1
InChIInChI=1S/C16H21N3OS/c1-12-4-5-13(2)15(10-12)17-16-19(14(3)11-21-16)18-6-8-20-9-7-18/h4-5,10-11H,6-9H2,1-3H3/b17-16-
InChIKeyLYFGIUWLGBTELH-MSUUIHNZSA-N
MW303.43 g/mol
LogP2.68
Rot. Bonds2

About N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine

N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine (PubChem CID 8669893) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
PubChem CID8669893
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
SMILESCc1ccc(C)c(/N=c2\scc(C)n2N2CCOCC2)c1
InChIInChI=1S/C16H21N3OS/c1-12-4-5-13(2)15(10-12)17-16-19(14(3)11-21-16)18-6-8-20-9-7-18/h4-5,10-11H,6-9H2,1-3H3/b17-16-
InChIKeyLYFGIUWLGBTELH-MSUUIHNZSA-N
XLogP2.68
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine (CID 8669893) is N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine is Cc1ccc(C)c(/N=c2\scc(C)n2N2CCOCC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
The InChIKey is LYFGIUWLGBTELH-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-4-5-13(2)15(10-12)17-16-19(14(3)11-21-16)18-6-8-20-9-7-18/h4-5,10-11H,6-9H2,1-3H3/b17-16-.
What are the key properties of N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine has a molecular weight of 303.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 8669893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).