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

C23H37F2N3O3S — CID 138670864

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NC1CCC(CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
InChIInChI=1S/C23H37F2N3O3S/c1-16(2)30-13-10-21(29)26-18-6-4-17(5-7-18)8-11-28-12-9-20-19(14-28)27-22(32-20)31-15-23(3,24)25/h16-18H,4-15H2,1-3H3,(H,26,29)
InChIKeyUPACECKQOGXYBE-UHFFFAOYSA-N
MW473.63 g/mol
LogP4.42
Rot. Bonds11

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

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-propan-2-yloxypropanamide (PubChem CID 138670864) has the molecular formula C23H37F2N3O3S and a molecular weight of 473.63 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]-3-propan-2-yloxypropanamide.

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]-3-propan-2-yloxypropanamide
PubChem CID138670864
Molecular FormulaC23H37F2N3O3S
Molecular Weight473.63 g/mol
Exact Mass473.25
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NC1CCC(CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
InChIInChI=1S/C23H37F2N3O3S/c1-16(2)30-13-10-21(29)26-18-6-4-17(5-7-18)8-11-28-12-9-20-19(14-28)27-22(32-20)31-15-23(3,24)25/h16-18H,4-15H2,1-3H3,(H,26,29)
InChIKeyUPACECKQOGXYBE-UHFFFAOYSA-N
XLogP4.42
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.63
LogP ≤ 54.42
H-Bond Donors ≤ 51
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]-3-propan-2-yloxypropanamide 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]-3-propan-2-yloxypropanamide?
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]-3-propan-2-yloxypropanamide (CID 138670864) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-propan-2-yloxypropanamide.
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]-3-propan-2-yloxypropanamide?
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]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NC1CCC(CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1.
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]-3-propan-2-yloxypropanamide?
The InChIKey is UPACECKQOGXYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37F2N3O3S/c1-16(2)30-13-10-21(29)26-18-6-4-17(5-7-18)8-11-28-12-9-20-19(14-28)27-22(32-20)31-15-23(3,24)25/h16-18H,4-15H2,1-3H3,(H,26,29).
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]-3-propan-2-yloxypropanamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-propan-2-yloxypropanamide has a molecular weight of 473.63 g/mol, XLogP of 4.42, 11 rotatable bonds, 1 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]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 138670864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).