6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

C23H18F4N6OS — CID 25073586

IUPAC6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFc1cnc(-c2nc(-c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)cs2)nc1N1CCOCC1
InChIInChI=1S/C23H18F4N6OS/c24-17-12-29-20(32-21(17)33-6-8-34-9-7-33)22-31-19(13-35-22)18-5-4-16(11-28-18)30-15-3-1-2-14(10-15)23(25,26)27/h1-5,10-13,30H,6-9H2
InChIKeySCNXPIIADPNGMP-UHFFFAOYSA-N
MW502.50 g/mol
LogP5.40
Rot. Bonds5

About 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 25073586) has the molecular formula C23H18F4N6OS and a molecular weight of 502.50 g/mol. Its IUPAC name is 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID25073586
Molecular FormulaC23H18F4N6OS
Molecular Weight502.50 g/mol
Exact Mass502.12
IUPAC Name6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFc1cnc(-c2nc(-c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)cs2)nc1N1CCOCC1
InChIInChI=1S/C23H18F4N6OS/c24-17-12-29-20(32-21(17)33-6-8-34-9-7-33)22-31-19(13-35-22)18-5-4-16(11-28-18)30-15-3-1-2-14(10-15)23(25,26)27/h1-5,10-13,30H,6-9H2
InChIKeySCNXPIIADPNGMP-UHFFFAOYSA-N
XLogP5.40
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (CID 25073586) is 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is Fc1cnc(-c2nc(-c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)cs2)nc1N1CCOCC1.
What is the InChIKey of 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is SCNXPIIADPNGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N6OS/c24-17-12-29-20(32-21(17)33-6-8-34-9-7-33)22-31-19(13-35-22)18-5-4-16(11-28-18)30-15-3-1-2-14(10-15)23(25,26)27/h1-5,10-13,30H,6-9H2.
What are the key properties of 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 502.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 25073586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).