6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H17FN4O2S — CID 7177783

IUPAC6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)cnc2s1
InChIInChI=1S/C18H17FN4O2S/c1-12-11-23-17(25)13(10-20-18(23)26-12)16(24)22-8-6-21(7-9-22)15-5-3-2-4-14(15)19/h2-5,10-11H,6-9H2,1H3
InChIKeyZURJTUQTHHUKKK-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.17
Rot. Bonds2

About 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 7177783) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID7177783
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)cnc2s1
InChIInChI=1S/C18H17FN4O2S/c1-12-11-23-17(25)13(10-20-18(23)26-12)16(24)22-8-6-21(7-9-22)15-5-3-2-4-14(15)19/h2-5,10-11H,6-9H2,1H3
InChIKeyZURJTUQTHHUKKK-UHFFFAOYSA-N
XLogP2.17
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-{[ethyl(4-Fluorophenyl)amino]methyl}-N,2-Dimethyl-5-Oxo-5h-[1,3]thiazolo[3,2-A]pyrimidine-3-Carboxamide
CID 118017587
6-[4-(2-Chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4105005
2-methyl-6-(4-phenylpiperazine-1-carbonyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 7177780
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-prop-1-en-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009185
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009384
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
CID 118010095
3-acetyl-7-[[ethyl(4-fluorophenyl)amino]methyl]-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118011037
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118017591
3-cyclopropyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118017702
N-ethyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438475
N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3245630
3,6-dimethyl-2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4151798

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 7177783) is 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)cnc2s1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZURJTUQTHHUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-12-11-23-17(25)13(10-20-18(23)26-12)16(24)22-8-6-21(7-9-22)15-5-3-2-4-14(15)19/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 372.43 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 7177783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).