4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine

C16H21N3OS — CID 17410113

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCC1CN(Cc2csc(Nc3ccccc3)n2)CC(C)O1
InChIInChI=1S/C16H21N3OS/c1-12-8-19(9-13(2)20-12)10-15-11-21-16(18-15)17-14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,17,18)
InChIKeyALTOSZLWPBXEHC-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.50
Rot. Bonds4

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 17410113) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID17410113
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCC1CN(Cc2csc(Nc3ccccc3)n2)CC(C)O1
InChIInChI=1S/C16H21N3OS/c1-12-8-19(9-13(2)20-12)10-15-11-21-16(18-15)17-14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,17,18)
InChIKeyALTOSZLWPBXEHC-UHFFFAOYSA-N
XLogP3.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine (CID 17410113) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine is CC1CN(Cc2csc(Nc3ccccc3)n2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is ALTOSZLWPBXEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-8-19(9-13(2)20-12)10-15-11-21-16(18-15)17-14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 303.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 17410113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).