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

C23H25FN4O2S — CID 44623659

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 Name: 1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
• PubChem CID: 44623659
• Molecular Formula: C23H25FN4O2S
• Molecular Weight: 440.54 g/mol
• Exact Mass: 440.17
• IUPAC Name: 1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
• SMILES: O=C(NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1)OCc1cscn1
• InChI: 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)
• InChIKey: CFISLOJKMGGUJZ-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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).