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

C24H32F2N4O3S — CID 138670484

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-6-methoxypyridine-2-carboxamide
SMILESCOc1cccc(C(=O)NC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)n1
InChIInChI=1S/C24H32F2N4O3S/c1-24(25,26)15-33-23-29-19-14-30(13-11-20(19)34-23)12-10-16-6-8-17(9-7-16)27-22(31)18-4-3-5-21(28-18)32-2/h3-5,16-17H,6-15H2,1-2H3,(H,27,31)
InChIKeyJWOXBHMCTQJXSO-UHFFFAOYSA-N
MW494.61 g/mol
LogP4.32
Rot. Bonds9

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

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-6-methoxypyridine-2-carboxamide (PubChem CID 138670484) has the molecular formula C24H32F2N4O3S and a molecular weight of 494.61 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]-6-methoxypyridine-2-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]-6-methoxypyridine-2-carboxamide
PubChem CID138670484
Molecular FormulaC24H32F2N4O3S
Molecular Weight494.61 g/mol
Exact Mass494.22
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-6-methoxypyridine-2-carboxamide
SMILESCOc1cccc(C(=O)NC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)n1
InChIInChI=1S/C24H32F2N4O3S/c1-24(25,26)15-33-23-29-19-14-30(13-11-20(19)34-23)12-10-16-6-8-17(9-7-16)27-22(31)18-4-3-5-21(28-18)32-2/h3-5,16-17H,6-15H2,1-2H3,(H,27,31)
InChIKeyJWOXBHMCTQJXSO-UHFFFAOYSA-N
XLogP4.32
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 25124831
[5-[(5-Fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 25125172
4-amino-5-cyano-N-[[1-[[2-(2,6-difluorophenyl)-4-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-ethoxypyridine-2-carboxamide
CID 58504051
N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide
CID 87339225
5-[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-4-yl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118185989
4-(cyclohexylmethyl)-5-[2-(2,2-dimethylpropoxy)-6-(trifluoromethyl)pyridin-4-yl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118186020
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide
CID 138670460
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methoxypyridine-3-carboxamide
CID 138670857
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-ethoxypyridine-3-carboxamide
CID 138670885
(E)-N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 138671104
(E)-N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 138671119
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]prop-2-enamide
CID 138671417

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]-6-methoxypyridine-2-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]-6-methoxypyridine-2-carboxamide (CID 138670484) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-6-methoxypyridine-2-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]-6-methoxypyridine-2-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]-6-methoxypyridine-2-carboxamide is COc1cccc(C(=O)NC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)n1.
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]-6-methoxypyridine-2-carboxamide?
The InChIKey is JWOXBHMCTQJXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N4O3S/c1-24(25,26)15-33-23-29-19-14-30(13-11-20(19)34-23)12-10-16-6-8-17(9-7-16)27-22(31)18-4-3-5-21(28-18)32-2/h3-5,16-17H,6-15H2,1-2H3,(H,27,31).
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]-6-methoxypyridine-2-carboxamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-6-methoxypyridine-2-carboxamide has a molecular weight of 494.61 g/mol, XLogP of 4.32, 9 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-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-6-methoxypyridine-2-carboxamide is sourced from PubChem (CID 138670484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).