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

C24H32F2N4O3S — CID 138670857

IUPACN-[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
SMILESCOc1ncccc1C(=O)NC1CCC(CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
InChIInChI=1S/C24H32F2N4O3S/c1-24(25,26)15-33-23-29-19-14-30(13-10-20(19)34-23)12-9-16-5-7-17(8-6-16)28-21(31)18-4-3-11-27-22(18)32-2/h3-4,11,16-17H,5-10,12-15H2,1-2H3,(H,28,31)
InChIKeyVCTNKHBDSWDGSM-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]-2-methoxypyridine-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-methoxypyridine-3-carboxamide (PubChem CID 138670857) 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]-2-methoxypyridine-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-methoxypyridine-3-carboxamide
PubChem CID138670857
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]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC1CCC(CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
InChIInChI=1S/C24H32F2N4O3S/c1-24(25,26)15-33-23-29-19-14-30(13-10-20(19)34-23)12-9-16-5-7-17(8-6-16)28-21(31)18-4-3-11-27-22(18)32-2/h3-4,11,16-17H,5-10,12-15H2,1-2H3,(H,28,31)
InChIKeyVCTNKHBDSWDGSM-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]-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

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
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
CID 138671636
US9776991, Example 57
CID 118112583
N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 150140683
2-ethoxy-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)nicotinamide
CID 16194617
2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752978
(2-Ethoxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72124239
N-(2-(2-(2-fluorophenyl)thiazol-4-yl)phenyl)-2-methoxynicotinamide
CID 76150447
5-[[2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164750633
2-ethoxy-N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)nicotinamide
CID 7087666
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3-methyl-3-piperidinyl)methoxy]nicotinamide
CID 45231752
N-(2-{2-[1-(6-Methoxypyridine-3-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841712

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-methoxypyridine-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-methoxypyridine-3-carboxamide (CID 138670857) is 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.
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-methoxypyridine-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-methoxypyridine-3-carboxamide is COc1ncccc1C(=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-methoxypyridine-3-carboxamide?
The InChIKey is VCTNKHBDSWDGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N4O3S/c1-24(25,26)15-33-23-29-19-14-30(13-10-20(19)34-23)12-9-16-5-7-17(8-6-16)28-21(31)18-4-3-11-27-22(18)32-2/h3-4,11,16-17H,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-methoxypyridine-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-methoxypyridine-3-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]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 138670857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).