N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide

C26H32F2N4O2S2 — CID 138671460

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

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide (PubChem CID 138671460) has the molecular formula C26H32F2N4O2S2 and a molecular weight of 534.70 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide
• PubChem CID: 138671460
• Molecular Formula: C26H32F2N4O2S2
• Molecular Weight: 534.70 g/mol
• Exact Mass: 534.19
• IUPAC Name: N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide
• SMILES: Cc1nc2cccc(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)c2s1
• InChI: InChI=1S/C26H32F2N4O2S2/c1-16-29-20-5-3-4-19(23(20)35-16)24(33)30-18-8-6-17(7-9-18)10-12-32-13-11-22-21(14-32)31-25(36-22)34-15-26(2,27)28/h3-5,17-18H,6-15H2,1-2H3,(H,30,33)
• InChIKey: ZTADGZCYUUTETM-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.70
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide (CID 138671460) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide.

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

The canonical SMILES for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide is Cc1nc2cccc(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)c2s1.

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

The InChIKey is ZTADGZCYUUTETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O2S2/c1-16-29-20-5-3-4-19(23(20)35-16)24(33)30-18-8-6-17(7-9-18)10-12-32-13-11-22-21(14-32)31-25(36-22)34-15-26(2,27)28/h3-5,17-18H,6-15H2,1-2H3,(H,30,33).

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

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide has a molecular weight of 534.70 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 138671460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).