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

C19H18F3N5O4S — CID 24829448

IUPAC3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)C(O)C3)nc12
InChIInChI=1S/C19H18F3N5O4S/c1-31-14-13-15(24-9-23-14)32-16(25-13)26-17(29)27-6-5-18(30,12(28)8-27)10-3-2-4-11(7-10)19(20,21)22/h2-4,7,9,12,28,30H,5-6,8H2,1H3,(H,25,26,29)
InChIKeyFMTAREADYNMGNT-UHFFFAOYSA-N
MW469.45 g/mol
LogP2.60
Rot. Bonds3

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

3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 24829448) has the molecular formula C19H18F3N5O4S and a molecular weight of 469.45 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID24829448
Molecular FormulaC19H18F3N5O4S
Molecular Weight469.45 g/mol
Exact Mass469.10
IUPAC Name3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)C(O)C3)nc12
InChIInChI=1S/C19H18F3N5O4S/c1-31-14-13-15(24-9-23-14)32-16(25-13)26-17(29)27-6-5-18(30,12(28)8-27)10-3-2-4-11(7-10)19(20,21)22/h2-4,7,9,12,28,30H,5-6,8H2,1H3,(H,25,26,29)
InChIKeyFMTAREADYNMGNT-UHFFFAOYSA-N
XLogP2.60
TPSA120.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 24830126
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 24830131
3-[2-(3-Trifluoromethyl-phenoxy)-ethylamino]-pyrrolidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24830288
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 24830292

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 24829448) is 3,4-dihydroxy-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 3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)C(O)C3)nc12.
What is the InChIKey of 3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is FMTAREADYNMGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O4S/c1-31-14-13-15(24-9-23-14)32-16(25-13)26-17(29)27-6-5-18(30,12(28)8-27)10-3-2-4-11(7-10)19(20,21)22/h2-4,7,9,12,28,30H,5-6,8H2,1H3,(H,25,26,29).
What are the key properties of 3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 469.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 24829448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).