N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine

C23H25F3N6S — CID 53235506

IUPACN-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(N3CCC4(CCNC4)CC3)s2)c1
InChIInChI=1S/C23H25F3N6S/c1-15-10-16(12-17(11-15)30-20-28-6-2-19(31-20)23(24,25)26)18-13-29-21(33-18)32-8-4-22(5-9-32)3-7-27-14-22/h2,6,10-13,27H,3-5,7-9,14H2,1H3,(H,28,30,31)
InChIKeyWSFDCOJMRUOPNE-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.25
Rot. Bonds4

About N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 53235506) has the molecular formula C23H25F3N6S and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID53235506
Molecular FormulaC23H25F3N6S
Molecular Weight474.56 g/mol
Exact Mass474.18
IUPAC NameN-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(N3CCC4(CCNC4)CC3)s2)c1
InChIInChI=1S/C23H25F3N6S/c1-15-10-16(12-17(11-15)30-20-28-6-2-19(31-20)23(24,25)26)18-13-29-21(33-18)32-8-4-22(5-9-32)3-7-27-14-22/h2,6,10-13,27H,3-5,7-9,14H2,1H3,(H,28,30,31)
InChIKeyWSFDCOJMRUOPNE-UHFFFAOYSA-N
XLogP5.25
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

Dabrafenib
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2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 36
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4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
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(3-Aminomethyl-phenyl)-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 10042059
(3-Aminomethyl-phenyl)-[4-(2-ethylamino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 11724828
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 145979645
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 145989991
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145991173
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145991893
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 155546230
N-(3,5-dimethylphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 53235506) is N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(N3CCC4(CCNC4)CC3)s2)c1.
What is the InChIKey of N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WSFDCOJMRUOPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6S/c1-15-10-16(12-17(11-15)30-20-28-6-2-19(31-20)23(24,25)26)18-13-29-21(33-18)32-8-4-22(5-9-32)3-7-27-14-22/h2,6,10-13,27H,3-5,7-9,14H2,1H3,(H,28,30,31).
What are the key properties of N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 474.56 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,8-diazaspiro[4.5]decan-8-yl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 53235506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).