2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide

C23H31F3N4O2S2 — CID 138671941

About 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide

2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide (PubChem CID 138671941) has the molecular formula C23H31F3N4O2S2 and a molecular weight of 516.66 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
• PubChem CID: 138671941
• Molecular Formula: C23H31F3N4O2S2
• Molecular Weight: 516.66 g/mol
• Exact Mass: 516.18
• IUPAC Name: 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
• SMILES: Cc1cnc(CC(=O)NC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)s1
• InChI: InChI=1S/C23H31F3N4O2S2/c1-15-13-27-21(33-15)12-20(31)28-17-4-2-16(3-5-17)6-9-30-10-7-18-19(8-11-30)34-22(29-18)32-14-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31)
• InChIKey: OYAWUZKNTRJSCD-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.66
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide?

The IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide (CID 138671941) is 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide.

What is the SMILES notation for 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide?

The canonical SMILES for 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide is Cc1cnc(CC(=O)NC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)s1.

What is the InChIKey of 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide?

The InChIKey is OYAWUZKNTRJSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O2S2/c1-15-13-27-21(33-15)12-20(31)28-17-4-2-16(3-5-17)6-9-30-10-7-18-19(8-11-30)34-22(29-18)32-14-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31).

What are the key properties of 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide?

2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 516.66 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 138671941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).