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

C17H19F2N3O3S — CID 78772886

IUPAC2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide
SMILESCCN1CCc2nc(NC(=O)c3cccc(OC)c3OC(F)F)sc2C1
InChIInChI=1S/C17H19F2N3O3S/c1-3-22-8-7-11-13(9-22)26-17(20-11)21-15(23)10-5-4-6-12(24-2)14(10)25-16(18)19/h4-6,16H,3,7-9H2,1-2H3,(H,20,21,23)
InChIKeyNQRVMNPEWZHTMW-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.38
Rot. Bonds6

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

2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide (PubChem CID 78772886) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide
PubChem CID78772886
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC Name2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide
SMILESCCN1CCc2nc(NC(=O)c3cccc(OC)c3OC(F)F)sc2C1
InChIInChI=1S/C17H19F2N3O3S/c1-3-22-8-7-11-13(9-22)26-17(20-11)21-15(23)10-5-4-6-12(24-2)14(10)25-16(18)19/h4-6,16H,3,7-9H2,1-2H3,(H,20,21,23)
InChIKeyNQRVMNPEWZHTMW-UHFFFAOYSA-N
XLogP3.38
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)naphthalene-1-carboxamide
CID 167840338
2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827061
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 119946095
4-amino-5-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methoxybenzamide;dihydrochloride
CID 119828566
2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 15282280
4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 29412552
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 86917165
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 78821805
3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide
CID 29412667
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 112793379
2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 51158639

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide (CID 78772886) is 2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide is CCN1CCc2nc(NC(=O)c3cccc(OC)c3OC(F)F)sc2C1.
What is the InChIKey of 2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide?
The InChIKey is NQRVMNPEWZHTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c1-3-22-8-7-11-13(9-22)26-17(20-11)21-15(23)10-5-4-6-12(24-2)14(10)25-16(18)19/h4-6,16H,3,7-9H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide?
2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide has a molecular weight of 383.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 78772886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).