6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C23H26FN5O2S — CID 95920527

IUPAC6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=C(C1CCN(c2nc3ncn(Cc4cccc(F)c4)c(=O)c3s2)CC1)N1CCCCC1
InChIInChI=1S/C23H26FN5O2S/c24-18-6-4-5-16(13-18)14-29-15-25-20-19(22(29)31)32-23(26-20)28-11-7-17(8-12-28)21(30)27-9-2-1-3-10-27/h4-6,13,15,17H,1-3,7-12,14H2
InChIKeyRRIPAJIEHLPOQI-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.27
Rot. Bonds4

About 6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one

6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 95920527) has the molecular formula C23H26FN5O2S and a molecular weight of 455.56 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID95920527
Molecular FormulaC23H26FN5O2S
Molecular Weight455.56 g/mol
Exact Mass455.18
IUPAC Name6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=C(C1CCN(c2nc3ncn(Cc4cccc(F)c4)c(=O)c3s2)CC1)N1CCCCC1
InChIInChI=1S/C23H26FN5O2S/c24-18-6-4-5-16(13-18)14-29-15-25-20-19(22(29)31)32-23(26-20)28-11-7-17(8-12-28)21(30)27-9-2-1-3-10-27/h4-6,13,15,17H,1-3,7-12,14H2
InChIKeyRRIPAJIEHLPOQI-UHFFFAOYSA-N
XLogP3.27
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-[(3,4-difluorophenyl)methyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 95917972
6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 93062511
2-[7-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 98485615
N-cyclopropyl-1-[6-[(3,4-difluorophenyl)methyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 110278241
N-(3-fluorophenyl)-2-(7-oxo-2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785361
(3S)-N-cyclopropyl-1-[6-[2-(3-fluoroanilino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92883908
N-ethyl-1-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 53129061
N-cyclohexyl-2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785191
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
ethyl 1-[3-[(3-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate
CID 20969166
N-(3-methylsulfanylphenyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785150
2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51369148

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 95920527) is 6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=C(C1CCN(c2nc3ncn(Cc4cccc(F)c4)c(=O)c3s2)CC1)N1CCCCC1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is RRIPAJIEHLPOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2S/c24-18-6-4-5-16(13-18)14-29-15-25-20-19(22(29)31)32-23(26-20)28-11-7-17(8-12-28)21(30)27-9-2-1-3-10-27/h4-6,13,15,17H,1-3,7-12,14H2.
What are the key properties of 6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 455.56 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 95920527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).