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

C19H19F3N6O2S — CID 24830612

IUPACN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc12
InChIInChI=1S/C19H19F3N6O2S/c1-30-15-14-16(24-11-23-15)31-17(25-14)26-18(29)28-7-5-27(6-8-28)10-12-3-2-4-13(9-12)19(20,21)22/h2-4,9,11H,5-8,10H2,1H3,(H,25,26,29)
InChIKeyPQLRHNTWULIDPM-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.46
Rot. Bonds4

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

N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 24830612) has the molecular formula C19H19F3N6O2S and a molecular weight of 452.46 g/mol. Its IUPAC name is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID24830612
Molecular FormulaC19H19F3N6O2S
Molecular Weight452.46 g/mol
Exact Mass452.12
IUPAC NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc12
InChIInChI=1S/C19H19F3N6O2S/c1-30-15-14-16(24-11-23-15)31-17(25-14)26-18(29)28-7-5-27(6-8-28)10-12-3-2-4-13(9-12)19(20,21)22/h2-4,9,11H,5-8,10H2,1H3,(H,25,26,29)
InChIKeyPQLRHNTWULIDPM-UHFFFAOYSA-N
XLogP3.46
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (CID 24830612) is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc12.
What is the InChIKey of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is PQLRHNTWULIDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2S/c1-30-15-14-16(24-11-23-15)31-17(25-14)26-18(29)28-7-5-27(6-8-28)10-12-3-2-4-13(9-12)19(20,21)22/h2-4,9,11H,5-8,10H2,1H3,(H,25,26,29).
What are the key properties of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 24830612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).