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

C19H26F2N4O2S — CID 138671244

IUPAC2-cyano-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
SMILESN#CCC(=O)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C19H26F2N4O2S/c20-17(21)12-27-19-24-15-11-25(10-7-16(15)28-19)9-6-13-1-3-14(4-2-13)23-18(26)5-8-22/h13-14,17H,1-7,9-12H2,(H,23,26)
InChIKeyCYYHFIGIOIRBIM-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.12
Rot. Bonds8

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

2-cyano-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 138671244) has the molecular formula C19H26F2N4O2S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-cyano-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-cyano-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
PubChem CID138671244
Molecular FormulaC19H26F2N4O2S
Molecular Weight412.51 g/mol
Exact Mass412.17
IUPAC Name2-cyano-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
SMILESN#CCC(=O)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C19H26F2N4O2S/c20-17(21)12-27-19-24-15-11-25(10-7-16(15)28-19)9-6-13-1-3-14(4-2-13)23-18(26)5-8-22/h13-14,17H,1-7,9-12H2,(H,23,26)
InChIKeyCYYHFIGIOIRBIM-UHFFFAOYSA-N
XLogP3.12
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyano-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-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-cyano-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (CID 138671244) is 2-cyano-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-cyano-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-cyano-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is N#CCC(=O)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.
What is the InChIKey of 2-cyano-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 CYYHFIGIOIRBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O2S/c20-17(21)12-27-19-24-15-11-25(10-7-16(15)28-19)9-6-13-1-3-14(4-2-13)23-18(26)5-8-22/h13-14,17H,1-7,9-12H2,(H,23,26).
What are the key properties of 2-cyano-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
2-cyano-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 412.51 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-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 138671244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).