1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate

C22H22F2N4O2S — CID 140567356

About 1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate

1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate (PubChem CID 140567356) has the molecular formula C22H22F2N4O2S and a molecular weight of 444.51 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

• Compound Name: 1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
• PubChem CID: 140567356
• Molecular Formula: C22H22F2N4O2S
• Molecular Weight: 444.51 g/mol
• Exact Mass: 444.14
• IUPAC Name: 1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
• SMILES: O=C(NCC1CCN(c2cccc(-c3cc(F)cc(F)c3)n2)CC1)OCc1cscn1
• InChI: InChI=1S/C22H22F2N4O2S/c23-17-8-16(9-18(24)10-17)20-2-1-3-21(27-20)28-6-4-15(5-7-28)11-25-22(29)30-12-19-13-31-14-26-19/h1-3,8-10,13-15H,4-7,11-12H2,(H,25,29)
• InChIKey: CCPHYBIBDHKJNH-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.51
LogP ≤ 5	4.63
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-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?

The IUPAC name of 1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate (CID 140567356) is 1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate.

What is the SMILES notation for 1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?

The canonical SMILES for 1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate is O=C(NCC1CCN(c2cccc(-c3cc(F)cc(F)c3)n2)CC1)OCc1cscn1.

What is the InChIKey of 1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?

The InChIKey is CCPHYBIBDHKJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2S/c23-17-8-16(9-18(24)10-17)20-2-1-3-21(27-20)28-6-4-15(5-7-28)11-25-22(29)30-12-19-13-31-14-26-19/h1-3,8-10,13-15H,4-7,11-12H2,(H,25,29).

What are the key properties of 1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?

1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 444.51 g/mol, XLogP of 4.63, 6 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-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 140567356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).