2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone

C19H25N5O2S2 — CID 90617879

About 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone

2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 90617879) has the molecular formula C19H25N5O2S2 and a molecular weight of 419.58 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 90617879
• Molecular Formula: C19H25N5O2S2
• Molecular Weight: 419.58 g/mol
• Exact Mass: 419.14
• IUPAC Name: 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
• SMILES: O=C(CSc1ncccn1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
• InChI: InChI=1S/C19H25N5O2S2/c25-17(14-28-18-20-6-1-7-21-18)24-9-2-15(3-10-24)23-11-4-16(5-12-23)26-19-22-8-13-27-19/h1,6-8,13,15-16H,2-5,9-12,14H2
• InChIKey: AGVPOSLZQZVNBO-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 71.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.58
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone (CID 90617879) is 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone is O=C(CSc1ncccn1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.

What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?

The InChIKey is AGVPOSLZQZVNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S2/c25-17(14-28-18-20-6-1-7-21-18)24-9-2-15(3-10-24)23-11-4-16(5-12-23)26-19-22-8-13-27-19/h1,6-8,13,15-16H,2-5,9-12,14H2.

What are the key properties of 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?

2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 419.58 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90617879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).