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

C23H35N5O2S2 — CID 118418520

IUPACN-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CSc2cnc(C(NC(=O)C3CCNCC3)C3CCNCC3)s2)o1
InChIInChI=1S/C23H35N5O2S2/c1-23(2,3)17-12-26-18(30-17)14-31-19-13-27-22(32-19)20(15-4-8-24-9-5-15)28-21(29)16-6-10-25-11-7-16/h12-13,15-16,20,24-25H,4-11,14H2,1-3H3,(H,28,29)
InChIKeyRGUZLFRKZLURNG-UHFFFAOYSA-N
MW477.70 g/mol
LogP3.88
Rot. Bonds7

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

N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide (PubChem CID 118418520) has the molecular formula C23H35N5O2S2 and a molecular weight of 477.70 g/mol. Its IUPAC name is N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide
PubChem CID118418520
Molecular FormulaC23H35N5O2S2
Molecular Weight477.70 g/mol
Exact Mass477.22
IUPAC NameN-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CSc2cnc(C(NC(=O)C3CCNCC3)C3CCNCC3)s2)o1
InChIInChI=1S/C23H35N5O2S2/c1-23(2,3)17-12-26-18(30-17)14-31-19-13-27-22(32-19)20(15-4-8-24-9-5-15)28-21(29)16-6-10-25-11-7-16/h12-13,15-16,20,24-25H,4-11,14H2,1-3H3,(H,28,29)
InChIKeyRGUZLFRKZLURNG-UHFFFAOYSA-N
XLogP3.88
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.70
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]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 N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide (CID 118418520) is N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide is CC(C)(C)c1cnc(CSc2cnc(C(NC(=O)C3CCNCC3)C3CCNCC3)s2)o1.
What is the InChIKey of N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide?
The InChIKey is RGUZLFRKZLURNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2S2/c1-23(2,3)17-12-26-18(30-17)14-31-19-13-27-22(32-19)20(15-4-8-24-9-5-15)28-21(29)16-6-10-25-11-7-16/h12-13,15-16,20,24-25H,4-11,14H2,1-3H3,(H,28,29).
What are the key properties of N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide?
N-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-piperidin-4-ylmethyl]piperidine-4-carboxamide has a molecular weight of 477.70 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 8 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]-piperidin-4-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 118418520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).