7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H21FN4O2S — CID 9436276

IUPAC7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(F)cc1CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C19H21FN4O2S/c1-26-17-3-2-15(20)10-14(17)12-22-4-6-23(7-5-22)13-16-11-18(25)24-8-9-27-19(24)21-16/h2-3,8-11H,4-7,12-13H2,1H3
InChIKeyQSYFEAKEXUWRGF-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.22
Rot. Bonds5

About 7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 9436276) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID9436276
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(F)cc1CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C19H21FN4O2S/c1-26-17-3-2-15(20)10-14(17)12-22-4-6-23(7-5-22)13-16-11-18(25)24-8-9-27-19(24)21-16/h2-3,8-11H,4-7,12-13H2,1H3
InChIKeyQSYFEAKEXUWRGF-UHFFFAOYSA-N
XLogP2.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(2-Methylphenoxy)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16009343
N-[(2-Methoxyphenyl)methyl]-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 16012120
N-[(2-Methoxyphenyl)methyl]-2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]acetamide
CID 16012158
7-[[4-(4-Methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42890470
7-[(N-benzyl-4-methoxyanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42921615
2-(2-((2-fluorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)-N-(2-methoxybenzyl)acetamide
CID 135952776
2-{[(4-Fluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-4-one
CID 136079947
(Z)-5-(2-methoxybenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one
CID 2020280
(2Z)-2-[(2-methoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 1281700
7-[[4-(3-Fluoro-4-methoxybenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920638
6-[2-[4-[(4-Fluorophenyl)-(4-methoxyphenyl)methylidene]piperidin-1-yl]ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13363245
6-[2-[4-[(4-Fluorophenyl)-(4-methoxyphenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13363246

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 9436276) is 7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1ccc(F)cc1CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QSYFEAKEXUWRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-26-17-3-2-15(20)10-14(17)12-22-4-6-23(7-5-22)13-16-11-18(25)24-8-9-27-19(24)21-16/h2-3,8-11H,4-7,12-13H2,1H3.
What are the key properties of 7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 388.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 9436276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).