[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

C20H19FN4O2S — CID 55601876

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)C1CCCCN1c1ncccn1
InChIInChI=1S/C20H19FN4O2S/c21-15-7-5-14(6-8-15)18-24-16(13-28-18)12-27-19(26)17-4-1-2-11-25(17)20-22-9-3-10-23-20/h3,5-10,13,17H,1-2,4,11-12H2
InChIKeyYWJWUXVGYIBOQS-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.84
Rot. Bonds5

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate (PubChem CID 55601876) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
PubChem CID55601876
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)C1CCCCN1c1ncccn1
InChIInChI=1S/C20H19FN4O2S/c21-15-7-5-14(6-8-15)18-24-16(13-28-18)12-27-19(26)17-4-1-2-11-25(17)20-22-9-3-10-23-20/h3,5-10,13,17H,1-2,4,11-12H2
InChIKeyYWJWUXVGYIBOQS-UHFFFAOYSA-N
XLogP3.84
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1038969
naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 46457559
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601907
[2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601869
[2-(5-methylthiophen-2-yl)-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 38483346
(2-phenyl-1,3-thiazol-4-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 24677878
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 18208076
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 8653895
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-amino-4-fluorobenzoate
CID 16612092
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate
CID 8664153
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601875
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 42989680

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate (CID 55601876) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate is O=C(OCc1csc(-c2ccc(F)cc2)n1)C1CCCCN1c1ncccn1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The InChIKey is YWJWUXVGYIBOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-15-7-5-14(6-8-15)18-24-16(13-28-18)12-27-19(26)17-4-1-2-11-25(17)20-22-9-3-10-23-20/h3,5-10,13,17H,1-2,4,11-12H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate is sourced from PubChem (CID 55601876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).