N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide

C21H22N4O2S — CID 46589560

IUPACN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCN1CCc2nc(NC(=O)c3ccc(OCc4cccnc4)cc3)sc2C1
InChIInChI=1S/C21H22N4O2S/c1-2-25-11-9-18-19(13-25)28-21(23-18)24-20(26)16-5-7-17(8-6-16)27-14-15-4-3-10-22-12-15/h3-8,10,12H,2,9,11,13-14H2,1H3,(H,23,24,26)
InChIKeyAHTGQGHSYQMRNJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.75
Rot. Bonds6

About N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46589560) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46589560
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCN1CCc2nc(NC(=O)c3ccc(OCc4cccnc4)cc3)sc2C1
InChIInChI=1S/C21H22N4O2S/c1-2-25-11-9-18-19(13-25)28-21(23-18)24-20(26)16-5-7-17(8-6-16)27-14-15-4-3-10-22-12-15/h3-8,10,12H,2,9,11,13-14H2,1H3,(H,23,24,26)
InChIKeyAHTGQGHSYQMRNJ-UHFFFAOYSA-N
XLogP3.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propoxybenzamide
CID 2536195
4-ethoxy-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976323
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(2-methylpropyl)benzamide
CID 86977214
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-ethylsulfonylbenzamide
CID 26841185
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 8550347
N-[5-[(4-phenylmethoxyphenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532229
4-ethoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827009
N-(1-ethylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30853915
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430927
4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 29412552
3-butoxy-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976291
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 78772933

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide (CID 46589560) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide is CCN1CCc2nc(NC(=O)c3ccc(OCc4cccnc4)cc3)sc2C1.
What is the InChIKey of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is AHTGQGHSYQMRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-2-25-11-9-18-19(13-25)28-21(23-18)24-20(26)16-5-7-17(8-6-16)27-14-15-4-3-10-22-12-15/h3-8,10,12H,2,9,11,13-14H2,1H3,(H,23,24,26).
What are the key properties of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46589560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).