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N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C20H22N6O3S — CID 122253721

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1nc(CNC(=O)c2sc(-c3ccccc3)nc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C20H22N6O3S/c1-13-16(30-18(22-13)14-6-4-3-5-7-14)17(27)21-12-15-23-19(25-20(24-15)28-2)26-8-10-29-11-9-26/h3-7H,8-12H2,1-2H3,(H,21,27)
InChIKeyFJJSIICJGSXHOL-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.08
Rot. Bonds6

About N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 122253721) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID122253721
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1nc(CNC(=O)c2sc(-c3ccccc3)nc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C20H22N6O3S/c1-13-16(30-18(22-13)14-6-4-3-5-7-14)17(27)21-12-15-23-19(25-20(24-15)28-2)26-8-10-29-11-9-26/h3-7H,8-12H2,1-2H3,(H,21,27)
InChIKeyFJJSIICJGSXHOL-UHFFFAOYSA-N
XLogP2.08
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 122253721) is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is COc1nc(CNC(=O)c2sc(-c3ccccc3)nc2C)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is FJJSIICJGSXHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-13-16(30-18(22-13)14-6-4-3-5-7-14)17(27)21-12-15-23-19(25-20(24-15)28-2)26-8-10-29-11-9-26/h3-7H,8-12H2,1-2H3,(H,21,27).
What are the key properties of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122253721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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