N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

C23H33N5OS2 — CID 138671311

About N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (PubChem CID 138671311) has the molecular formula C23H33N5OS2 and a molecular weight of 459.69 g/mol. Its IUPAC name is N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
• PubChem CID: 138671311
• Molecular Formula: C23H33N5OS2
• Molecular Weight: 459.69 g/mol
• Exact Mass: 459.21
• IUPAC Name: N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
• SMILES: Cc1ncc(CC(=O)NC2CCC(CCN3CCc4sc(N5CCC5)nc4C3)CC2)s1
• InChI: InChI=1S/C23H33N5OS2/c1-16-24-14-19(30-16)13-22(29)25-18-5-3-17(4-6-18)7-11-27-12-8-21-20(15-27)26-23(31-21)28-9-2-10-28/h14,17-18H,2-13,15H2,1H3,(H,25,29)
• InChIKey: LZFAOOZWBBVDQS-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.69
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?

The IUPAC name of N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (CID 138671311) is N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.

What is the SMILES notation for N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?

The canonical SMILES for N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is Cc1ncc(CC(=O)NC2CCC(CCN3CCc4sc(N5CCC5)nc4C3)CC2)s1.

What is the InChIKey of N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?

The InChIKey is LZFAOOZWBBVDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5OS2/c1-16-24-14-19(30-16)13-22(29)25-18-5-3-17(4-6-18)7-11-27-12-8-21-20(15-27)26-23(31-21)28-9-2-10-28/h14,17-18H,2-13,15H2,1H3,(H,25,29).

What are the key properties of N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?

N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 459.69 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 138671311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).