acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide

C28H42F2N4O2S2 — CID 145451792

About acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide

acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide (PubChem CID 145451792) has the molecular formula C28H42F2N4O2S2 and a molecular weight of 568.80 g/mol. Its IUPAC name is acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide.

Molecular Properties

• Compound Name: acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide
• PubChem CID: 145451792
• Molecular Formula: C28H42F2N4O2S2
• Molecular Weight: 568.80 g/mol
• Exact Mass: 568.27
• IUPAC Name: acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide
• SMILES: C#C.CCc1cnc(C)s1.FC1(F)CCC(Oc2nc3c(s2)CCN(CCC2CCCCC2)C3)C1.NC=O
• InChI: InChI=1S/C19H28F2N2OS.C6H9NS.C2H2.CH3NO/c20-19(21)9-6-15(12-19)24-18-22-16-13-23(11-8-17(16)25-18)10-7-14-4-2-1-3-5-14;1-3-6-4-7-5(2)8-6;1-2;2-1-3/h14-15H,1-13H2;4H,3H2,1-2H3;1-2H;1H,(H2,2,3)
• InChIKey: GAJKHAAGPKATBI-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 81.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.80
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide?

The IUPAC name of acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide (CID 145451792) is acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide.

What is the SMILES notation for acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide?

The canonical SMILES for acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide is C#C.CCc1cnc(C)s1.FC1(F)CCC(Oc2nc3c(s2)CCN(CCC2CCCCC2)C3)C1.NC=O.

What is the InChIKey of acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide?

The InChIKey is GAJKHAAGPKATBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2OS.C6H9NS.C2H2.CH3NO/c20-19(21)9-6-15(12-19)24-18-22-16-13-23(11-8-17(16)25-18)10-7-14-4-2-1-3-5-14;1-3-6-4-7-5(2)8-6;1-2;2-1-3/h14-15H,1-13H2;4H,3H2,1-2H3;1-2H;1H,(H2,2,3).

What are the key properties of acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide?

acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide has a molecular weight of 568.80 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;5-(2-cyclohexylethyl)-2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-ethyl-2-methyl-1,3-thiazole;formamide is sourced from PubChem (CID 145451792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).