N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine

C23H20F3N7OS — CID 59507621

IUPACN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Nc3nc(-c4ccccc4)cs3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H20F3N7OS/c24-23(25,26)16-10-19(27)28-12-15(16)17-11-20(31-21(29-17)33-6-8-34-9-7-33)32-22-30-18(13-35-22)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H2,27,28)(H,29,30,31,32)
InChIKeyHRKLHXAWCDUDFO-UHFFFAOYSA-N
MW499.52 g/mol
LogP4.84
Rot. Bonds5

About N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine

N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 59507621) has the molecular formula C23H20F3N7OS and a molecular weight of 499.52 g/mol. Its IUPAC name is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID59507621
Molecular FormulaC23H20F3N7OS
Molecular Weight499.52 g/mol
Exact Mass499.14
IUPAC NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Nc3nc(-c4ccccc4)cs3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H20F3N7OS/c24-23(25,26)16-10-19(27)28-12-15(16)17-11-20(31-21(29-17)33-6-8-34-9-7-33)32-22-30-18(13-35-22)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H2,27,28)(H,29,30,31,32)
InChIKeyHRKLHXAWCDUDFO-UHFFFAOYSA-N
XLogP4.84
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine (CID 59507621) is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(Nc3nc(-c4ccccc4)cs3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is HRKLHXAWCDUDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7OS/c24-23(25,26)16-10-19(27)28-12-15(16)17-11-20(31-21(29-17)33-6-8-34-9-7-33)32-22-30-18(13-35-22)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H2,27,28)(H,29,30,31,32).
What are the key properties of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 499.52 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 59507621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).