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

C24H22F3N7OS — CID 87454483

IUPACN-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine
SMILESCc1c(-c2ccccc2Nc2nccs2)nc(N2CCOCC2)nc1-c1cnc(N)cc1C(F)(F)F
InChIInChI=1S/C24H22F3N7OS/c1-14-20(15-4-2-3-5-18(15)31-23-29-6-11-36-23)32-22(34-7-9-35-10-8-34)33-21(14)16-13-30-19(28)12-17(16)24(25,26)27/h2-6,11-13H,7-10H2,1H3,(H2,28,30)(H,29,31)
InChIKeyUHTNDMQIAIXEBI-UHFFFAOYSA-N
MW513.55 g/mol
LogP5.15
Rot. Bonds5

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

N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine (PubChem CID 87454483) has the molecular formula C24H22F3N7OS and a molecular weight of 513.55 g/mol. Its IUPAC name is N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine
PubChem CID87454483
Molecular FormulaC24H22F3N7OS
Molecular Weight513.55 g/mol
Exact Mass513.16
IUPAC NameN-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine
SMILESCc1c(-c2ccccc2Nc2nccs2)nc(N2CCOCC2)nc1-c1cnc(N)cc1C(F)(F)F
InChIInChI=1S/C24H22F3N7OS/c1-14-20(15-4-2-3-5-18(15)31-23-29-6-11-36-23)32-22(34-7-9-35-10-8-34)33-21(14)16-13-30-19(28)12-17(16)24(25,26)27/h2-6,11-13H,7-10H2,1H3,(H2,28,30)(H,29,31)
InChIKeyUHTNDMQIAIXEBI-UHFFFAOYSA-N
XLogP5.15
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.55
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine (CID 87454483) is N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine is Cc1c(-c2ccccc2Nc2nccs2)nc(N2CCOCC2)nc1-c1cnc(N)cc1C(F)(F)F.
What is the InChIKey of N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is UHTNDMQIAIXEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7OS/c1-14-20(15-4-2-3-5-18(15)31-23-29-6-11-36-23)32-22(34-7-9-35-10-8-34)33-21(14)16-13-30-19(28)12-17(16)24(25,26)27/h2-6,11-13H,7-10H2,1H3,(H2,28,30)(H,29,31).
What are the key properties of N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine?
N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 513.55 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87454483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).