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

C17H24N4O2S2 — CID 11428951

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CSN2CCC(C(N)=O)CC2c2nccs2)o1
InChIInChI=1S/C17H24N4O2S2/c1-17(2,3)13-9-20-14(23-13)10-25-21-6-4-11(15(18)22)8-12(21)16-19-5-7-24-16/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H2,18,22)
InChIKeyPIEFGULYFGKWHK-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.52
Rot. Bonds5

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

1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 11428951) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID11428951
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CSN2CCC(C(N)=O)CC2c2nccs2)o1
InChIInChI=1S/C17H24N4O2S2/c1-17(2,3)13-9-20-14(23-13)10-25-21-6-4-11(15(18)22)8-12(21)16-19-5-7-24-16/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H2,18,22)
InChIKeyPIEFGULYFGKWHK-UHFFFAOYSA-N
XLogP3.52
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 11428951) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide is CC(C)(C)c1cnc(CSN2CCC(C(N)=O)CC2c2nccs2)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is PIEFGULYFGKWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-17(2,3)13-9-20-14(23-13)10-25-21-6-4-11(15(18)22)8-12(21)16-19-5-7-24-16/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H2,18,22).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[(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 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11428951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).