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

C26H33F2N5O2S — CID 138670865

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)cccc2[nH]1
InChIInChI=1S/C26H33F2N5O2S/c1-16-29-20-5-3-4-19(23(20)30-16)24(34)31-18-8-6-17(7-9-18)10-12-33-13-11-22-21(14-33)32-25(36-22)35-15-26(2,27)28/h3-5,17-18H,6-15H2,1-2H3,(H,29,30)(H,31,34)
InChIKeyFVWLYKDLOBJIKX-UHFFFAOYSA-N
MW517.65 g/mol
LogP5.10
Rot. Bonds8

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-1H-benzimidazole-4-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-1H-benzimidazole-4-carboxamide (PubChem CID 138670865) has the molecular formula C26H33F2N5O2S and a molecular weight of 517.65 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-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1H-benzimidazole-4-carboxamide
PubChem CID138670865
Molecular FormulaC26H33F2N5O2S
Molecular Weight517.65 g/mol
Exact Mass517.23
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)cccc2[nH]1
InChIInChI=1S/C26H33F2N5O2S/c1-16-29-20-5-3-4-19(23(20)30-16)24(34)31-18-8-6-17(7-9-18)10-12-33-13-11-22-21(14-33)32-25(36-22)35-15-26(2,27)28/h3-5,17-18H,6-15H2,1-2H3,(H,29,30)(H,31,34)
InChIKeyFVWLYKDLOBJIKX-UHFFFAOYSA-N
XLogP5.10
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.65
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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-1H-benzimidazole-4-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-1H-benzimidazole-4-carboxamide (CID 138670865) 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-1H-benzimidazole-4-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-1H-benzimidazole-4-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-1H-benzimidazole-4-carboxamide is Cc1nc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)cccc2[nH]1.
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-1H-benzimidazole-4-carboxamide?
The InChIKey is FVWLYKDLOBJIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N5O2S/c1-16-29-20-5-3-4-19(23(20)30-16)24(34)31-18-8-6-17(7-9-18)10-12-33-13-11-22-21(14-33)32-25(36-22)35-15-26(2,27)28/h3-5,17-18H,6-15H2,1-2H3,(H,29,30)(H,31,34).
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-1H-benzimidazole-4-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-1H-benzimidazole-4-carboxamide has a molecular weight of 517.65 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 138670865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).