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

C20H30N4O2S2 — CID 139951762

IUPAC3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(N)=O)C(c2nc(SCc3ncc(C(C)(C)C)o3)cs2)C1
InChIInChI=1S/C20H30N4O2S2/c1-12(2)24-7-6-13(18(21)25)14(9-24)19-23-17(11-28-19)27-10-16-22-8-15(26-16)20(3,4)5/h8,11-14H,6-7,9-10H2,1-5H3,(H2,21,25)
InChIKeyRMNRTTQDDYFZDC-UHFFFAOYSA-N
MW422.62 g/mol
LogP4.02
Rot. Bonds6

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

3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 139951762) has the molecular formula C20H30N4O2S2 and a molecular weight of 422.62 g/mol. Its IUPAC name is 3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID139951762
Molecular FormulaC20H30N4O2S2
Molecular Weight422.62 g/mol
Exact Mass422.18
IUPAC Name3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(N)=O)C(c2nc(SCc3ncc(C(C)(C)C)o3)cs2)C1
InChIInChI=1S/C20H30N4O2S2/c1-12(2)24-7-6-13(18(21)25)14(9-24)19-23-17(11-28-19)27-10-16-22-8-15(26-16)20(3,4)5/h8,11-14H,6-7,9-10H2,1-5H3,(H2,21,25)
InChIKeyRMNRTTQDDYFZDC-UHFFFAOYSA-N
XLogP4.02
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide (CID 139951762) is 3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(N)=O)C(c2nc(SCc3ncc(C(C)(C)C)o3)cs2)C1.
What is the InChIKey of 3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RMNRTTQDDYFZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S2/c1-12(2)24-7-6-13(18(21)25)14(9-24)19-23-17(11-28-19)27-10-16-22-8-15(26-16)20(3,4)5/h8,11-14H,6-7,9-10H2,1-5H3,(H2,21,25).
What are the key properties of 3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide?
3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 422.62 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 139951762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).