N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

C25H27N3O2S2 — CID 19712121

About N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide (PubChem CID 19712121) has the molecular formula C25H27N3O2S2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
• PubChem CID: 19712121
• Molecular Formula: C25H27N3O2S2
• Molecular Weight: 465.64 g/mol
• Exact Mass: 465.15
• IUPAC Name: N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
• SMILES: CC(Sc1ccc(NC(=O)C2CCCCC2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C25H27N3O2S2/c1-17(23(29)28-25-27-22(16-31-25)18-8-4-2-5-9-18)32-21-14-12-20(13-15-21)26-24(30)19-10-6-3-7-11-19/h2,4-5,8-9,12-17,19H,3,6-7,10-11H2,1H3,(H,26,30)(H,27,28,29)
• InChIKey: FZKOCUCFWQMZPG-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.64
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide?

The IUPAC name of N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide (CID 19712121) is N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide?

The canonical SMILES for N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide is CC(Sc1ccc(NC(=O)C2CCCCC2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1.

What is the InChIKey of N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide?

The InChIKey is FZKOCUCFWQMZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S2/c1-17(23(29)28-25-27-22(16-31-25)18-8-4-2-5-9-18)32-21-14-12-20(13-15-21)26-24(30)19-10-6-3-7-11-19/h2,4-5,8-9,12-17,19H,3,6-7,10-11H2,1H3,(H,26,30)(H,27,28,29).

What are the key properties of N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide?

N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide has a molecular weight of 465.64 g/mol, XLogP of 6.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 19712121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).