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

C22H31F2N5O2S — CID 138671331

IUPACN-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C22H31F2N5O2S/c23-20(24)15-31-22-27-18-14-28(12-7-19(18)32-22)11-6-16-2-4-17(5-3-16)26-21(30)8-13-29-10-1-9-25-29/h1,9-10,16-17,20H,2-8,11-15H2,(H,26,30)
InChIKeyZXAAUGZUOSQGQA-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.50
Rot. Bonds10

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

N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide (PubChem CID 138671331) has the molecular formula C22H31F2N5O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide
PubChem CID138671331
Molecular FormulaC22H31F2N5O2S
Molecular Weight467.59 g/mol
Exact Mass467.22
IUPAC NameN-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C22H31F2N5O2S/c23-20(24)15-31-22-27-18-14-28(12-7-19(18)32-22)11-6-16-2-4-17(5-3-16)26-21(30)8-13-29-10-1-9-25-29/h1,9-10,16-17,20H,2-8,11-15H2,(H,26,30)
InChIKeyZXAAUGZUOSQGQA-UHFFFAOYSA-N
XLogP3.50
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide (CID 138671331) is N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is ZXAAUGZUOSQGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N5O2S/c23-20(24)15-31-22-27-18-14-28(12-7-19(18)32-22)11-6-16-2-4-17(5-3-16)26-21(30)8-13-29-10-1-9-25-29/h1,9-10,16-17,20H,2-8,11-15H2,(H,26,30).
What are the key properties of N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide?
N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 467.59 g/mol, XLogP of 3.50, 10 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-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 138671331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).