5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide

C27H33N5O3S — CID 158675494

About 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide

5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide (PubChem CID 158675494) has the molecular formula C27H33N5O3S and a molecular weight of 507.66 g/mol. Its IUPAC name is 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide
• PubChem CID: 158675494
• Molecular Formula: C27H33N5O3S
• Molecular Weight: 507.66 g/mol
• Exact Mass: 507.23
• IUPAC Name: 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.CC(C)(C)c1cnc(/C=C/c2cnc(N)s2)o1
• InChI: InChI=1S/C15H18N2O2.C12H15N3OS/c1-2-14(18)16-13-8-6-12(7-9-13)15(19)17-10-4-3-5-11-17;1-12(2,3)9-7-14-10(16-9)5-4-8-6-15-11(13)17-8/h2,6-9H,1,3-5,10-11H2,(H,16,18);4-7H,1-3H3,(H2,13,15)/b;5-4+
• InChIKey: IELRHGSEKIFTRX-RCKHEGBHSA-N
• XLogP: 5.62
• TPSA: 114.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.66
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide?

The IUPAC name of 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide (CID 158675494) is 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide.

What is the SMILES notation for 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide?

The canonical SMILES for 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.CC(C)(C)c1cnc(/C=C/c2cnc(N)s2)o1.

What is the InChIKey of 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide?

The InChIKey is IELRHGSEKIFTRX-RCKHEGBHSA-N. The full InChI is InChI=1S/C15H18N2O2.C12H15N3OS/c1-2-14(18)16-13-8-6-12(7-9-13)15(19)17-10-4-3-5-11-17;1-12(2,3)9-7-14-10(16-9)5-4-8-6-15-11(13)17-8/h2,6-9H,1,3-5,10-11H2,(H,16,18);4-7H,1-3H3,(H2,13,15)/b;5-4+.

What are the key properties of 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide?

5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide has a molecular weight of 507.66 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-amine;N-[4-(piperidine-1-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 158675494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).