1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

C23H25FN4O2S — CID 141259698

IUPAC1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1)OCc1nccs1
InChIInChI=1S/C23H25FN4O2S/c24-19-6-4-18(5-7-19)20-2-1-3-21(27-20)28-13-9-17(10-14-28)8-11-26-23(29)30-16-22-25-12-15-31-22/h1-7,12,15,17H,8-11,13-14,16H2,(H,26,29)
InChIKeyMWDKIPBORHLQER-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.88
Rot. Bonds7

About 1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 141259698) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID141259698
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC Name1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1)OCc1nccs1
InChIInChI=1S/C23H25FN4O2S/c24-19-6-4-18(5-7-19)20-2-1-3-21(27-20)28-13-9-17(10-14-28)8-11-26-23(29)30-16-22-25-12-15-31-22/h1-7,12,15,17H,8-11,13-14,16H2,(H,26,29)
InChIKeyMWDKIPBORHLQER-UHFFFAOYSA-N
XLogP4.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of 1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 141259698) is 1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for 1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for 1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is O=C(NCCC1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1)OCc1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is MWDKIPBORHLQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c24-19-6-4-18(5-7-19)20-2-1-3-21(27-20)28-13-9-17(10-14-28)8-11-26-23(29)30-16-22-25-12-15-31-22/h1-7,12,15,17H,8-11,13-14,16H2,(H,26,29).
What are the key properties of 1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 440.54 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethyl N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 141259698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).