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

C16H17F2N3O3S2 — CID 29412552

IUPAC4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)sc2C1
InChIInChI=1S/C16H17F2N3O3S2/c1-2-21-8-7-12-13(9-21)25-16(19-12)20-14(22)10-3-5-11(6-4-10)26(23,24)15(17)18/h3-6,15H,2,7-9H2,1H3,(H,19,20,22)
InChIKeyAALPMALUULLHTA-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.77
Rot. Bonds5

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

4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 29412552) has the molecular formula C16H17F2N3O3S2 and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID29412552
Molecular FormulaC16H17F2N3O3S2
Molecular Weight401.46 g/mol
Exact Mass401.07
IUPAC Name4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)sc2C1
InChIInChI=1S/C16H17F2N3O3S2/c1-2-21-8-7-12-13(9-21)25-16(19-12)20-14(22)10-3-5-11(6-4-10)26(23,24)15(17)18/h3-6,15H,2,7-9H2,1H3,(H,19,20,22)
InChIKeyAALPMALUULLHTA-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.77
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-ethylsulfonylbenzamide
CID 26841185
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-propan-2-ylsulfanylbenzamide
CID 8550347
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propoxybenzamide
CID 2536195
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430927
4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 18567188
4-[bis(prop-2-enyl)sulfamoyl]-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976286
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide
CID 29412679
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methylsulfonylphenyl)acetamide;hydrochloride
CID 44827099
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dipropylsulfamoyl)benzamide;hydrochloride
CID 44827139
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-nitrobenzamide;hydrochloride
CID 18567123
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 119946095

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 29412552) is 4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is CCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)sc2C1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is AALPMALUULLHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S2/c1-2-21-8-7-12-13(9-21)25-16(19-12)20-14(22)10-3-5-11(6-4-10)26(23,24)15(17)18/h3-6,15H,2,7-9H2,1H3,(H,19,20,22).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 401.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 29412552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).