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

C23H31F3N4OS2 — CID 138670784

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

2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (PubChem CID 138670784) has the molecular formula C23H31F3N4OS2 and a molecular weight of 500.66 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
• PubChem CID: 138670784
• Molecular Formula: C23H31F3N4OS2
• Molecular Weight: 500.66 g/mol
• Exact Mass: 500.19
• IUPAC Name: 2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
• SMILES: Cc1ncc(CC(=O)NC2CCC(CCN3CCc4sc(CCC(F)(F)F)nc4C3)CC2)s1
• InChI: InChI=1S/C23H31F3N4OS2/c1-15-27-13-18(32-15)12-21(31)28-17-4-2-16(3-5-17)7-10-30-11-8-20-19(14-30)29-22(33-20)6-9-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31)
• InChIKey: GRJJOTYTIXEECG-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.66
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (CID 138670784) is 2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.

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

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

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

The InChIKey is GRJJOTYTIXEECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4OS2/c1-15-27-13-18(32-15)12-21(31)28-17-4-2-16(3-5-17)7-10-30-11-8-20-19(14-30)29-22(33-20)6-9-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31).

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

2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 500.66 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 138670784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).