1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

C23H25FN4O2S — CID 44623659

IUPAC1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1)OCc1cscn1
InChIInChI=1S/C23H25FN4O2S/c24-20-4-1-18(2-5-20)19-3-6-22(26-13-19)28-11-8-17(9-12-28)7-10-25-23(29)30-14-21-15-31-16-27-21/h1-6,13,15-17H,7-12,14H2,(H,25,29)
InChIKeyCFISLOJKMGGUJZ-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.88
Rot. Bonds7

About 1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 44623659) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID44623659
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC Name1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1)OCc1cscn1
InChIInChI=1S/C23H25FN4O2S/c24-20-4-1-18(2-5-20)19-3-6-22(26-13-19)28-11-8-17(9-12-28)7-10-25-23(29)30-14-21-15-31-16-27-21/h1-6,13,15-17H,7-12,14H2,(H,25,29)
InChIKeyCFISLOJKMGGUJZ-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-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of 1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 44623659) is 1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for 1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for 1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is O=C(NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1)OCc1cscn1.
What is the InChIKey of 1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is CFISLOJKMGGUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c24-20-4-1-18(2-5-20)19-3-6-22(26-13-19)28-11-8-17(9-12-28)7-10-25-23(29)30-14-21-15-31-16-27-21/h1-6,13,15-17H,7-12,14H2,(H,25,29).
What are the key properties of 1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
1,3-thiazol-4-ylmethyl N-[2-[1-[5-(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-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 44623659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).