3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile

C26H35N5O2S — CID 158040654

About 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile

3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile (PubChem CID 158040654) has the molecular formula C26H35N5O2S and a molecular weight of 481.67 g/mol. Its IUPAC name is 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile.

Molecular Properties

• Compound Name: 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile
• PubChem CID: 158040654
• Molecular Formula: C26H35N5O2S
• Molecular Weight: 481.67 g/mol
• Exact Mass: 481.25
• IUPAC Name: 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile
• SMILES: Cc1cc(CC(=O)CC2CCC(CCN3CCc4sc(N5CC(C)(C#N)C5)nc4C3)CC2)on1
• InChI: InChI=1S/C26H35N5O2S/c1-18-11-22(33-29-18)13-21(32)12-20-5-3-19(4-6-20)7-9-30-10-8-24-23(14-30)28-25(34-24)31-16-26(2,15-27)17-31/h11,19-20H,3-10,12-14,16-17H2,1-2H3
• InChIKey: FIHUQQAQBMRNLX-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 86.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.67
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile?

The IUPAC name of 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile (CID 158040654) is 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile.

What is the SMILES notation for 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile?

The canonical SMILES for 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile is Cc1cc(CC(=O)CC2CCC(CCN3CCc4sc(N5CC(C)(C#N)C5)nc4C3)CC2)on1.

What is the InChIKey of 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile?

The InChIKey is FIHUQQAQBMRNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2S/c1-18-11-22(33-29-18)13-21(32)12-20-5-3-19(4-6-20)7-9-30-10-8-24-23(14-30)28-25(34-24)31-16-26(2,15-27)17-31/h11,19-20H,3-10,12-14,16-17H2,1-2H3.

What are the key properties of 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile?

3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile has a molecular weight of 481.67 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile is sourced from PubChem (CID 158040654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).