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

C21H29F4N3O2S — CID 138671290

IUPAC2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
SMILESO=C(CC1CC1(F)F)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C21H29F4N3O2S/c22-18(23)12-30-20-27-16-11-28(8-6-17(16)31-20)7-5-13-1-3-15(4-2-13)26-19(29)9-14-10-21(14,24)25/h13-15,18H,1-12H2,(H,26,29)
InChIKeyUEEVZJLGWJQWEJ-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.26
Rot. Bonds9

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

2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (PubChem CID 138671290) has the molecular formula C21H29F4N3O2S and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
PubChem CID138671290
Molecular FormulaC21H29F4N3O2S
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC Name2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
SMILESO=C(CC1CC1(F)F)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C21H29F4N3O2S/c22-18(23)12-30-20-27-16-11-28(8-6-17(16)31-20)7-5-13-1-3-15(4-2-13)26-19(29)9-14-10-21(14,24)25/h13-15,18H,1-12H2,(H,26,29)
InChIKeyUEEVZJLGWJQWEJ-UHFFFAOYSA-N
XLogP4.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (CID 138671290) is 2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is O=C(CC1CC1(F)F)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is UEEVZJLGWJQWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F4N3O2S/c22-18(23)12-30-20-27-16-11-28(8-6-17(16)31-20)7-5-13-1-3-15(4-2-13)26-19(29)9-14-10-21(14,24)25/h13-15,18H,1-12H2,(H,26,29).
What are the key properties of 2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 463.54 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 138671290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).