N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane

C18H27N3O2S2 — CID 91601013

About N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane

N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane (PubChem CID 91601013) has the molecular formula C18H27N3O2S2 and a molecular weight of 381.57 g/mol. Its IUPAC name is N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane.

Molecular Properties

• Compound Name: N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane
• PubChem CID: 91601013
• Molecular Formula: C18H27N3O2S2
• Molecular Weight: 381.57 g/mol
• Exact Mass: 381.15
• IUPAC Name: N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane
• SMILES: CCC.Cc1cnc(CSc2cnc(NC(=O)C3CCCCC3)s2)o1
• InChI: InChI=1S/C15H19N3O2S2.C3H8/c1-10-7-16-12(20-10)9-21-13-8-17-15(22-13)18-14(19)11-5-3-2-4-6-11;1-3-2/h7-8,11H,2-6,9H2,1H3,(H,17,18,19);3H2,1-2H3
• InChIKey: NXUGDVLKUBPXFP-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.57
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane?

The IUPAC name of N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane (CID 91601013) is N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane.

What is the SMILES notation for N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane?

The canonical SMILES for N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane is CCC.Cc1cnc(CSc2cnc(NC(=O)C3CCCCC3)s2)o1.

What is the InChIKey of N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane?

The InChIKey is NXUGDVLKUBPXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2.C3H8/c1-10-7-16-12(20-10)9-21-13-8-17-15(22-13)18-14(19)11-5-3-2-4-6-11;1-3-2/h7-8,11H,2-6,9H2,1H3,(H,17,18,19);3H2,1-2H3.

What are the key properties of N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane?

N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane has a molecular weight of 381.57 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane is sourced from PubChem (CID 91601013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).