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

C24H33F2N5OS — CID 138670446

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

N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 138670446) has the molecular formula C24H33F2N5OS and a molecular weight of 477.63 g/mol. Its IUPAC name is N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
• PubChem CID: 138670446
• Molecular Formula: C24H33F2N5OS
• Molecular Weight: 477.63 g/mol
• Exact Mass: 477.24
• IUPAC Name: N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
• SMILES: Cn1cc(CC(=O)NC2CCC(CCN3CCc4sc(C5CC(F)(F)C5)nc4C3)CC2)cn1
• InChI: InChI=1S/C24H33F2N5OS/c1-30-14-17(13-27-30)10-22(32)28-19-4-2-16(3-5-19)6-8-31-9-7-21-20(15-31)29-23(33-21)18-11-24(25,26)12-18/h13-14,16,18-19H,2-12,15H2,1H3,(H,28,32)
• InChIKey: LRPKZJMICMEYMJ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.63
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 138670446) is N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide.

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

The canonical SMILES for N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(CC(=O)NC2CCC(CCN3CCc4sc(C5CC(F)(F)C5)nc4C3)CC2)cn1.

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

The InChIKey is LRPKZJMICMEYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N5OS/c1-30-14-17(13-27-30)10-22(32)28-19-4-2-16(3-5-19)6-8-31-9-7-21-20(15-31)29-23(33-21)18-11-24(25,26)12-18/h13-14,16,18-19H,2-12,15H2,1H3,(H,28,32).

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

N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 477.63 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 138670446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).