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

C17H24N4O2S2 — CID 154941682

IUPAC5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)c1cnc(CSC2CCC(c3nccs3)N(C(N)=O)C2)o1
InChIInChI=1S/C17H24N4O2S2/c1-17(2,3)13-8-20-14(23-13)10-25-11-4-5-12(15-19-6-7-24-15)21(9-11)16(18)22/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,18,22)
InChIKeyUUGIKPGJUQRHJK-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.95
Rot. Bonds4

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

5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 154941682) 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-1-carboxamide.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID154941682
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-1-carboxamide
SMILESCC(C)(C)c1cnc(CSC2CCC(c3nccs3)N(C(N)=O)C2)o1
InChIInChI=1S/C17H24N4O2S2/c1-17(2,3)13-8-20-14(23-13)10-25-11-4-5-12(15-19-6-7-24-15)21(9-11)16(18)22/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,18,22)
InChIKeyUUGIKPGJUQRHJK-UHFFFAOYSA-N
XLogP3.95
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-1-carboxamide?
The IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 154941682) is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is CC(C)(C)c1cnc(CSC2CCC(c3nccs3)N(C(N)=O)C2)o1.
What is the InChIKey of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is UUGIKPGJUQRHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-17(2,3)13-8-20-14(23-13)10-25-11-4-5-12(15-19-6-7-24-15)21(9-11)16(18)22/h6-8,11-12H,4-5,9-10H2,1-3H3,(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-1-carboxamide?
5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-1-carboxamide is sourced from PubChem (CID 154941682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).