5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C17H24N4O2S2 — CID 175716472

IUPAC5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CSC2CNC(c3nccs3)CC2C(N)=O)o1
InChIInChI=1S/C17H24N4O2S2/c1-17(2,3)13-8-21-14(23-13)9-25-12-7-20-11(6-10(12)15(18)22)16-19-4-5-24-16/h4-5,8,10-12,20H,6-7,9H2,1-3H3,(H2,18,22)
InChIKeyPONAEIVNQONBFR-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.87
Rot. Bonds5

About 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide

5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 175716472) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID175716472
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CSC2CNC(c3nccs3)CC2C(N)=O)o1
InChIInChI=1S/C17H24N4O2S2/c1-17(2,3)13-8-21-14(23-13)9-25-12-7-20-11(6-10(12)15(18)22)16-19-4-5-24-16/h4-5,8,10-12,20H,6-7,9H2,1-3H3,(H2,18,22)
InChIKeyPONAEIVNQONBFR-UHFFFAOYSA-N
XLogP2.87
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 175716472) is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide is CC(C)(C)c1cnc(CSC2CNC(c3nccs3)CC2C(N)=O)o1.
What is the InChIKey of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is PONAEIVNQONBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-17(2,3)13-8-21-14(23-13)9-25-12-7-20-11(6-10(12)15(18)22)16-19-4-5-24-16/h4-5,8,10-12,20H,6-7,9H2,1-3H3,(H2,18,22).
What are the key properties of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 175716472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).