N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide

C19H20F3N7O2S — CID 24830128

IUPACN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(NCc4ccc(C(F)(F)F)nc4)CC3)nc12
InChIInChI=1S/C19H20F3N7O2S/c1-31-15-14-16(26-10-25-15)32-17(27-14)28-18(30)29-6-4-12(5-7-29)23-8-11-2-3-13(24-9-11)19(20,21)22/h2-3,9-10,12,23H,4-8H2,1H3,(H,27,28,30)
InChIKeyLBWOQLREFUMOMM-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.29
Rot. Bonds5

About N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide

N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide (PubChem CID 24830128) has the molecular formula C19H20F3N7O2S and a molecular weight of 467.48 g/mol. Its IUPAC name is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide
PubChem CID24830128
Molecular FormulaC19H20F3N7O2S
Molecular Weight467.48 g/mol
Exact Mass467.14
IUPAC NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(NCc4ccc(C(F)(F)F)nc4)CC3)nc12
InChIInChI=1S/C19H20F3N7O2S/c1-31-15-14-16(26-10-25-15)32-17(27-14)28-18(30)29-6-4-12(5-7-29)23-8-11-2-3-13(24-9-11)19(20,21)22/h2-3,9-10,12,23H,4-8H2,1H3,(H,27,28,30)
InChIKeyLBWOQLREFUMOMM-UHFFFAOYSA-N
XLogP3.29
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide?
The IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide (CID 24830128) is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide?
The canonical SMILES for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCC(NCc4ccc(C(F)(F)F)nc4)CC3)nc12.
What is the InChIKey of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide?
The InChIKey is LBWOQLREFUMOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O2S/c1-31-15-14-16(26-10-25-15)32-17(27-14)28-18(30)29-6-4-12(5-7-29)23-8-11-2-3-13(24-9-11)19(20,21)22/h2-3,9-10,12,23H,4-8H2,1H3,(H,27,28,30).
What are the key properties of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide?
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 24830128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).