ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate

C23H23FN6O2S — CID 58541835

IUPACethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)CC1
InChIInChI=1S/C23H23FN6O2S/c1-2-32-23(31)29-11-8-17(9-12-29)26-21-25-10-7-18(27-21)20-19(15-3-5-16(24)6-4-15)28-22-30(20)13-14-33-22/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,25,26,27)
InChIKeyFTAQHXSKPBUYPA-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.69
Rot. Bonds5

About ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate

ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 58541835) has the molecular formula C23H23FN6O2S and a molecular weight of 466.54 g/mol. Its IUPAC name is ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
PubChem CID58541835
Molecular FormulaC23H23FN6O2S
Molecular Weight466.54 g/mol
Exact Mass466.16
IUPAC Nameethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)CC1
InChIInChI=1S/C23H23FN6O2S/c1-2-32-23(31)29-11-8-17(9-12-29)26-21-25-10-7-18(27-21)20-19(15-3-5-16(24)6-4-15)28-22-30(20)13-14-33-22/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,25,26,27)
InChIKeyFTAQHXSKPBUYPA-UHFFFAOYSA-N
XLogP4.69
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate (CID 58541835) is ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)CC1.
What is the InChIKey of ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is FTAQHXSKPBUYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2S/c1-2-32-23(31)29-11-8-17(9-12-29)26-21-25-10-7-18(27-21)20-19(15-3-5-16(24)6-4-15)28-22-30(20)13-14-33-22/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,25,26,27).
What are the key properties of ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 466.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 58541835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).