5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine

C20H25N7OS — CID 90800051

IUPAC5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(CNc3c(C)cccc3C)s2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H25N7OS/c1-13-5-4-6-14(2)17(13)21-11-16-12-22-20(29-16)26-18-23-15(3)24-19(25-18)27-7-9-28-10-8-27/h4-6,12,21H,7-11H2,1-3H3,(H,22,23,24,25,26)
InChIKeyHKYSIBZXFDLPDD-UHFFFAOYSA-N
MW411.54 g/mol
LogP3.45
Rot. Bonds6

About 5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine

5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine (PubChem CID 90800051) has the molecular formula C20H25N7OS and a molecular weight of 411.54 g/mol. Its IUPAC name is 5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine
PubChem CID90800051
Molecular FormulaC20H25N7OS
Molecular Weight411.54 g/mol
Exact Mass411.18
IUPAC Name5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(CNc3c(C)cccc3C)s2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H25N7OS/c1-13-5-4-6-14(2)17(13)21-11-16-12-22-20(29-16)26-18-23-15(3)24-19(25-18)27-7-9-28-10-8-27/h4-6,12,21H,7-11H2,1-3H3,(H,22,23,24,25,26)
InChIKeyHKYSIBZXFDLPDD-UHFFFAOYSA-N
XLogP3.45
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine (CID 90800051) is 5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine is Cc1nc(Nc2ncc(CNc3c(C)cccc3C)s2)nc(N2CCOCC2)n1.
What is the InChIKey of 5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is HKYSIBZXFDLPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7OS/c1-13-5-4-6-14(2)17(13)21-11-16-12-22-20(29-16)26-18-23-15(3)24-19(25-18)27-7-9-28-10-8-27/h4-6,12,21H,7-11H2,1-3H3,(H,22,23,24,25,26).
What are the key properties of 5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine?
5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 411.54 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 90800051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).