1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile

C18H19F3N8S — CID 144865631

IUPAC1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile
SMILESCN1C(Nc2nccc3nc(N4CCCC(C#N)C4)sc23)=CC(N)=NC1C(F)(F)F
InChIInChI=1S/C18H19F3N8S/c1-28-13(7-12(23)26-16(28)18(19,20)21)27-15-14-11(4-5-24-15)25-17(30-14)29-6-2-3-10(8-22)9-29/h4-5,7,10,16H,2-3,6,9H2,1H3,(H2,23,26)(H,24,27)
InChIKeyJZHMIPLCLFKVBF-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.88
Rot. Bonds3

About 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile

1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile (PubChem CID 144865631) has the molecular formula C18H19F3N8S and a molecular weight of 436.47 g/mol. Its IUPAC name is 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile
PubChem CID144865631
Molecular FormulaC18H19F3N8S
Molecular Weight436.47 g/mol
Exact Mass436.14
IUPAC Name1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile
SMILESCN1C(Nc2nccc3nc(N4CCCC(C#N)C4)sc23)=CC(N)=NC1C(F)(F)F
InChIInChI=1S/C18H19F3N8S/c1-28-13(7-12(23)26-16(28)18(19,20)21)27-15-14-11(4-5-24-15)25-17(30-14)29-6-2-3-10(8-22)9-29/h4-5,7,10,16H,2-3,6,9H2,1H3,(H2,23,26)(H,24,27)
InChIKeyJZHMIPLCLFKVBF-UHFFFAOYSA-N
XLogP2.88
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile?
The IUPAC name of 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile (CID 144865631) is 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile is CN1C(Nc2nccc3nc(N4CCCC(C#N)C4)sc23)=CC(N)=NC1C(F)(F)F.
What is the InChIKey of 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile?
The InChIKey is JZHMIPLCLFKVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N8S/c1-28-13(7-12(23)26-16(28)18(19,20)21)27-15-14-11(4-5-24-15)25-17(30-14)29-6-2-3-10(8-22)9-29/h4-5,7,10,16H,2-3,6,9H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile?
1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile has a molecular weight of 436.47 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile is sourced from PubChem (CID 144865631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).