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

C24H32F2N4O2S — CID 138671461

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC(CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
InChIInChI=1S/C24H32F2N4O2S/c1-16-19(4-3-11-27-16)22(31)28-18-7-5-17(6-8-18)9-12-30-13-10-21-20(14-30)29-23(33-21)32-15-24(2,25)26/h3-4,11,17-18H,5-10,12-15H2,1-2H3,(H,28,31)
InChIKeyKERPVCHNBDHHAB-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.62
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-methylpyridine-3-carboxamide

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 138671461) has the molecular formula C24H32F2N4O2S and a molecular weight of 478.61 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-methylpyridine-3-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-methylpyridine-3-carboxamide
PubChem CID138671461
Molecular FormulaC24H32F2N4O2S
Molecular Weight478.61 g/mol
Exact Mass478.22
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC(CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
InChIInChI=1S/C24H32F2N4O2S/c1-16-19(4-3-11-27-16)22(31)28-18-7-5-17(6-8-18)9-12-30-13-10-21-20(14-30)29-23(33-21)32-15-24(2,25)26/h3-4,11,17-18H,5-10,12-15H2,1-2H3,(H,28,31)
InChIKeyKERPVCHNBDHHAB-UHFFFAOYSA-N
XLogP4.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.62
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]-2-methylpyridine-3-carboxamide 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 N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylpyridine-3-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-methylpyridine-3-carboxamide (CID 138671461) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylpyridine-3-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-methylpyridine-3-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-methylpyridine-3-carboxamide is Cc1ncccc1C(=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]-2-methylpyridine-3-carboxamide?
The InChIKey is KERPVCHNBDHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N4O2S/c1-16-19(4-3-11-27-16)22(31)28-18-7-5-17(6-8-18)9-12-30-13-10-21-20(14-30)29-23(33-21)32-15-24(2,25)26/h3-4,11,17-18H,5-10,12-15H2,1-2H3,(H,28,31).
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-methylpyridine-3-carboxamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 478.61 g/mol, XLogP of 4.62, 8 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]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 138671461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).