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

C25H34F2N4O3S — CID 138670885

IUPACN-[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
SMILESCCOc1ncccc1C(=O)NC1CCC(CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
InChIInChI=1S/C25H34F2N4O3S/c1-3-33-23-19(5-4-12-28-23)22(32)29-18-8-6-17(7-9-18)10-13-31-14-11-21-20(15-31)30-24(35-21)34-16-25(2,26)27/h4-5,12,17-18H,3,6-11,13-16H2,1-2H3,(H,29,32)
InChIKeyZKVLXDLDLALLKC-UHFFFAOYSA-N
MW508.64 g/mol
LogP4.71
Rot. Bonds10

About 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

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 (PubChem CID 138670885) has the molecular formula C25H34F2N4O3S and a molecular weight of 508.64 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-ethoxypyridine-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-ethoxypyridine-3-carboxamide
PubChem CID138670885
Molecular FormulaC25H34F2N4O3S
Molecular Weight508.64 g/mol
Exact Mass508.23
IUPAC NameN-[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
SMILESCCOc1ncccc1C(=O)NC1CCC(CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
InChIInChI=1S/C25H34F2N4O3S/c1-3-33-23-19(5-4-12-28-23)22(32)29-18-8-6-17(7-9-18)10-13-31-14-11-21-20(15-31)30-24(35-21)34-16-25(2,26)27/h4-5,12,17-18H,3,6-11,13-16H2,1-2H3,(H,29,32)
InChIKeyZKVLXDLDLALLKC-UHFFFAOYSA-N
XLogP4.71
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 54.71
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-ethoxypyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[[2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 90643914
N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 138670319
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
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24794214
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
US11306081, Example 084
CID 156361566
2-ethoxy-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)nicotinamide
CID 16194617
N-[4-[[2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59190405
[2-(1,3-Benzothiazol-2-yl)pyrrolidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 4796033
[2-(2-Methoxyethoxy)-3-pyridinyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72124229

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-ethoxypyridine-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-ethoxypyridine-3-carboxamide (CID 138670885) is 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.
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-ethoxypyridine-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-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=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-ethoxypyridine-3-carboxamide?
The InChIKey is ZKVLXDLDLALLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N4O3S/c1-3-33-23-19(5-4-12-28-23)22(32)29-18-8-6-17(7-9-18)10-13-31-14-11-21-20(15-31)30-24(35-21)34-16-25(2,26)27/h4-5,12,17-18H,3,6-11,13-16H2,1-2H3,(H,29,32).
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-ethoxypyridine-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-ethoxypyridine-3-carboxamide has a molecular weight of 508.64 g/mol, XLogP of 4.71, 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-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 138670885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).