ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate

C24H25FN4O3S — CID 67267260

IUPACethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)n1
InChIInChI=1S/C24H25FN4O3S/c1-2-32-24(31)21-15-33-22(28-21)14-29-10-8-19(9-11-29)27-23(30)17-6-7-20(26-13-17)16-4-3-5-18(25)12-16/h3-7,12-13,15,19H,2,8-11,14H2,1H3,(H,27,30)
InChIKeyQUMYYAVFNGUDHJ-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.92
Rot. Bonds7

About ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 67267260) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate
PubChem CID67267260
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Nameethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)n1
InChIInChI=1S/C24H25FN4O3S/c1-2-32-24(31)21-15-33-22(28-21)14-29-10-8-19(9-11-29)27-23(30)17-6-7-20(26-13-17)16-4-3-5-18(25)12-16/h3-7,12-13,15,19H,2,8-11,14H2,1H3,(H,27,30)
InChIKeyQUMYYAVFNGUDHJ-UHFFFAOYSA-N
XLogP3.92
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate (CID 67267260) is ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)n1.
What is the InChIKey of ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is QUMYYAVFNGUDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-2-32-24(31)21-15-33-22(28-21)14-29-10-8-19(9-11-29)27-23(30)17-6-7-20(26-13-17)16-4-3-5-18(25)12-16/h3-7,12-13,15,19H,2,8-11,14H2,1H3,(H,27,30).
What are the key properties of ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 468.55 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 67267260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).