4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane

C24H32FN7O3S — CID 144559093

IUPAC4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane
SMILESCC.C[C@H]1CN(c2nc(Oc3ccc(C(=O)N(C)C)cc3F)nc(-c3cnc(N)s3)n2)[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C22H26FN7O3S.C2H6/c1-11-10-30(12(2)13(3)32-11)21-26-18(17-9-25-20(24)34-17)27-22(28-21)33-16-7-6-14(8-15(16)23)19(31)29(4)5;1-2/h6-9,11-13H,10H2,1-5H3,(H2,24,25);1-2H3/t11-,12-,13+;/m0./s1
InChIKeyQRARNCNGQZTWNA-GRMSKOJTSA-N
MW517.63 g/mol
LogP4.24
Rot. Bonds5

About 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane

4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane (PubChem CID 144559093) has the molecular formula C24H32FN7O3S and a molecular weight of 517.63 g/mol. Its IUPAC name is 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane.

Molecular Properties

Compound Name4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane
PubChem CID144559093
Molecular FormulaC24H32FN7O3S
Molecular Weight517.63 g/mol
Exact Mass517.23
IUPAC Name4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane
SMILESCC.C[C@H]1CN(c2nc(Oc3ccc(C(=O)N(C)C)cc3F)nc(-c3cnc(N)s3)n2)[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C22H26FN7O3S.C2H6/c1-11-10-30(12(2)13(3)32-11)21-26-18(17-9-25-20(24)34-17)27-22(28-21)33-16-7-6-14(8-15(16)23)19(31)29(4)5;1-2/h6-9,11-13H,10H2,1-5H3,(H2,24,25);1-2H3/t11-,12-,13+;/m0./s1
InChIKeyQRARNCNGQZTWNA-GRMSKOJTSA-N
XLogP4.24
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane?
The IUPAC name of 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane (CID 144559093) is 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane.
What is the SMILES notation for 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane?
The canonical SMILES for 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane is CC.C[C@H]1CN(c2nc(Oc3ccc(C(=O)N(C)C)cc3F)nc(-c3cnc(N)s3)n2)[C@@H](C)[C@@H](C)O1.
What is the InChIKey of 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane?
The InChIKey is QRARNCNGQZTWNA-GRMSKOJTSA-N. The full InChI is InChI=1S/C22H26FN7O3S.C2H6/c1-11-10-30(12(2)13(3)32-11)21-26-18(17-9-25-20(24)34-17)27-22(28-21)33-16-7-6-14(8-15(16)23)19(31)29(4)5;1-2/h6-9,11-13H,10H2,1-5H3,(H2,24,25);1-2H3/t11-,12-,13+;/m0./s1.
What are the key properties of 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane?
4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane has a molecular weight of 517.63 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-amino-1,3-thiazol-5-yl)-6-[(2R,3S,6S)-2,3,6-trimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide;ethane is sourced from PubChem (CID 144559093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).