2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one

C18H17FN4O2S — CID 135979002

IUPAC2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one
SMILESCC1(C)NCn2c1nc(-c1ncc(Cc3ccc(F)cc3)s1)c(O)c2=O
InChIInChI=1S/C18H17FN4O2S/c1-18(2)17-22-13(14(24)16(25)23(17)9-21-18)15-20-8-12(26-15)7-10-3-5-11(19)6-4-10/h3-6,8,21,24H,7,9H2,1-2H3
InChIKeyILTBRNCPMPIZCF-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.60
Rot. Bonds3

About 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one

2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one (PubChem CID 135979002) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one
PubChem CID135979002
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one
SMILESCC1(C)NCn2c1nc(-c1ncc(Cc3ccc(F)cc3)s1)c(O)c2=O
InChIInChI=1S/C18H17FN4O2S/c1-18(2)17-22-13(14(24)16(25)23(17)9-21-18)15-20-8-12(26-15)7-10-3-5-11(19)6-4-10/h3-6,8,21,24H,7,9H2,1-2H3
InChIKeyILTBRNCPMPIZCF-UHFFFAOYSA-N
XLogP2.60
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-bromophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxypyrimidin-5-ol
CID 143067246
2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 135908116
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyrimidin-5-one
CID 136593017
benzyl N-[4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-5-phenylmethoxy-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]carbamate
CID 71100907
4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol
CID 141200208
5-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-1,3-benzothiazol-4-ol
CID 136630108
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684172
(3S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-3-methyl-3-propanoyl-4H-pyrido[1,2-a]pyrazine-1,8-dione
CID 147023345
(4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide
CID 69086929
(4S)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,4-dimethyl-1,8-dioxo-2-propan-2-yl-3H-pyrido[1,2-a]pyrazine-4-carboxamide
CID 69086910
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,8-dihydropyrimido[2,1-d][1,2,5]thiadiazine-2-carboxamide
CID 91251624
2-fluoro-5-[[2-[6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N,N-dimethylbenzamide
CID 135859910

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one (CID 135979002) is 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one is CC1(C)NCn2c1nc(-c1ncc(Cc3ccc(F)cc3)s1)c(O)c2=O.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one?
The InChIKey is ILTBRNCPMPIZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-18(2)17-22-13(14(24)16(25)23(17)9-21-18)15-20-8-12(26-15)7-10-3-5-11(19)6-4-10/h3-6,8,21,24H,7,9H2,1-2H3.
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one?
2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one has a molecular weight of 372.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one is sourced from PubChem (CID 135979002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).