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

C15H15F2N3O2S — CID 2552802

IUPAC3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(OC(F)F)c3)sc2C1
InChIInChI=1S/C15H15F2N3O2S/c1-20-6-5-11-12(8-20)23-15(18-11)19-13(21)9-3-2-4-10(7-9)22-14(16)17/h2-4,7,14H,5-6,8H2,1H3,(H,18,19,21)
InChIKeyBTPSLXJQDOLCBW-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.98
Rot. Bonds4

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

3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 2552802) has the molecular formula C15H15F2N3O2S and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID2552802
Molecular FormulaC15H15F2N3O2S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(OC(F)F)c3)sc2C1
InChIInChI=1S/C15H15F2N3O2S/c1-20-6-5-11-12(8-20)23-15(18-11)19-13(21)9-3-2-4-10(7-9)22-14(16)17/h2-4,7,14H,5-6,8H2,1H3,(H,18,19,21)
InChIKeyBTPSLXJQDOLCBW-UHFFFAOYSA-N
XLogP2.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 2552802) is 3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is CN1CCc2nc(NC(=O)c3cccc(OC(F)F)c3)sc2C1.
What is the InChIKey of 3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is BTPSLXJQDOLCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2S/c1-20-6-5-11-12(8-20)23-15(18-11)19-13(21)9-3-2-4-10(7-9)22-14(16)17/h2-4,7,14H,5-6,8H2,1H3,(H,18,19,21).
What are the key properties of 3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 339.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 2552802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).