4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C19H19F3N6O2S — CID 24830126

IUPAC4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(N)(c4cccc(C(F)(F)F)c4)CC3)nc12
InChIInChI=1S/C19H19F3N6O2S/c1-30-14-13-15(25-10-24-14)31-16(26-13)27-17(29)28-7-5-18(23,6-8-28)11-3-2-4-12(9-11)19(20,21)22/h2-4,9-10H,5-8,23H2,1H3,(H,26,27,29)
InChIKeyWNJYSBODPAWKNA-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.60
Rot. Bonds3

About 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 24830126) has the molecular formula C19H19F3N6O2S and a molecular weight of 452.46 g/mol. Its IUPAC name is 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID24830126
Molecular FormulaC19H19F3N6O2S
Molecular Weight452.46 g/mol
Exact Mass452.12
IUPAC Name4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(N)(c4cccc(C(F)(F)F)c4)CC3)nc12
InChIInChI=1S/C19H19F3N6O2S/c1-30-14-13-15(25-10-24-14)31-16(26-13)27-17(29)28-7-5-18(23,6-8-28)11-3-2-4-12(9-11)19(20,21)22/h2-4,9-10H,5-8,23H2,1H3,(H,26,27,29)
InChIKeyWNJYSBODPAWKNA-UHFFFAOYSA-N
XLogP3.60
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(R)-3-(4-fluoro-3-trifluoromethyl-benzylamino)-pyrrolidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 17757330
3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 24829448
4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 24829451
4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829619
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 24829620
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 24829621
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 24829622
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-1-carboxamide
CID 24829788
4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
CID 24829792
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 24829955
4'-Hydroxy-6-trifluoromethyl-3',4',5',6'-tetrahydro-2'h-[2,4']bipyridinyl-1'-carboxylic acid(7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829958
4-Acetylamino-4-(3-trifluoromethyl-phenyl)-piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829959

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 24830126) is 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCC(N)(c4cccc(C(F)(F)F)c4)CC3)nc12.
What is the InChIKey of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is WNJYSBODPAWKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2S/c1-30-14-13-15(25-10-24-14)31-16(26-13)27-17(29)28-7-5-18(23,6-8-28)11-3-2-4-12(9-11)19(20,21)22/h2-4,9-10H,5-8,23H2,1H3,(H,26,27,29).
What are the key properties of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 24830126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).