5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C19H19F3N4O3S — CID 66780515

IUPAC5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1c(Cn2c(CO)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F
InChIInChI=1S/C19H19F3N4O3S/c1-11-12(3-2-4-13(11)19(20,21)22)9-26-14(10-27)23-17(28)15-16(26)24-18(30-15)25-5-7-29-8-6-25/h2-4,27H,5-10H2,1H3
InChIKeyQQGAYHWIOXRGNY-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.56
Rot. Bonds4

About 5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780515) has the molecular formula C19H19F3N4O3S and a molecular weight of 440.45 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66780515
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC Name5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1c(Cn2c(CO)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F
InChIInChI=1S/C19H19F3N4O3S/c1-11-12(3-2-4-13(11)19(20,21)22)9-26-14(10-27)23-17(28)15-16(26)24-18(30-15)25-5-7-29-8-6-25/h2-4,27H,5-10H2,1H3
InChIKeyQQGAYHWIOXRGNY-UHFFFAOYSA-N
XLogP2.56
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(benzenesulfonylmethyl)-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66779850
[4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]methoxymethyl-methyl-methylidenephosphanium
CID 91603360
4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-5-(oxolan-3-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66780570
1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone
CID 67101968
4-[(2-ethylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66780017
4-[7-bromo-2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine
CID 56960542
3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 71270807
dichloromethane;ethyl 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 161464932
N-(5-cyano-2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[dihydroxy-[2-methyl-3-(trifluoromethyl)phenyl]methyl]propanamide
CID 91351817
2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426376
4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 71527716
2-(aminomethyl)-2-(hydroxymethyl)propane-1,3-diol;2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 56927663

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780515) is 5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is Cc1c(Cn2c(CO)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F.
What is the InChIKey of 5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is QQGAYHWIOXRGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c1-11-12(3-2-4-13(11)19(20,21)22)9-26-14(10-27)23-17(28)15-16(26)24-18(30-15)25-5-7-29-8-6-25/h2-4,27H,5-10H2,1H3.
What are the key properties of 5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 440.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).