N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen

C20H34N4O2S2 — CID 170952739

About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen (PubChem CID 170952739) has the molecular formula C20H34N4O2S2 and a molecular weight of 426.65 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen.

Molecular Properties

• Compound Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
• PubChem CID: 170952739
• Molecular Formula: C20H34N4O2S2
• Molecular Weight: 426.65 g/mol
• Exact Mass: 426.21
• IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
• SMILES: CC.CN1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1.[H][H]
• InChI: InChI=1S/C18H26N4O2S2.C2H6.H2/c1-18(2,3)13-9-19-14(24-13)11-25-15-10-20-17(26-15)21-16(23)12-5-7-22(4)8-6-12;1-2;/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,23);1-2H3;1H
• InChIKey: ICSPOBMMCKZPTA-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.65
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen?

The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen (CID 170952739) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen.

What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen?

The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen is CC.CN1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1.[H][H].

What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen?

The InChIKey is ICSPOBMMCKZPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S2.C2H6.H2/c1-18(2,3)13-9-19-14(24-13)11-25-15-10-20-17(26-15)21-16(23)12-5-7-22(4)8-6-12;1-2;/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,23);1-2H3;1H.

What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen?

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen has a molecular weight of 426.65 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 170952739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).