(3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

C19H17F2N3OS — CID 71713767

IUPAC(3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(N1CCc2nc(C#Cc3ccccc3)sc2C1)N1CCC(F)(F)C1
InChIInChI=1S/C19H17F2N3OS/c20-19(21)9-11-24(13-19)18(25)23-10-8-15-16(12-23)26-17(22-15)7-6-14-4-2-1-3-5-14/h1-5H,8-13H2
InChIKeyFXGSFYZZIHCOQJ-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.36
Rot. Bonds

About (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

(3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 71713767) has the molecular formula C19H17F2N3OS and a molecular weight of 373.43 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID71713767
Molecular FormulaC19H17F2N3OS
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(N1CCc2nc(C#Cc3ccccc3)sc2C1)N1CCC(F)(F)C1
InChIInChI=1S/C19H17F2N3OS/c20-19(21)9-11-24(13-19)18(25)23-10-8-15-16(12-23)26-17(22-15)7-6-14-4-2-1-3-5-14/h1-5H,8-13H2
InChIKeyFXGSFYZZIHCOQJ-UHFFFAOYSA-N
XLogP3.36
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

cyclobutyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 71712882
2-(oxan-4-yl)-1-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 71713322
4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine
CID 71713762
2-anilino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
CID 91129185
5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-phenylethynyl)-1,3-thiazole
CID 58227547
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 142576411
N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 71767274
1-[2-(benzylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 130556955
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-phenylethanone
CID 59128876
N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525591
N-[5-(2-phenoxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525102
N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide
CID 143013041

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 71713767) is (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is O=C(N1CCc2nc(C#Cc3ccccc3)sc2C1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is FXGSFYZZIHCOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3OS/c20-19(21)9-11-24(13-19)18(25)23-10-8-15-16(12-23)26-17(22-15)7-6-14-4-2-1-3-5-14/h1-5H,8-13H2.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 373.43 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 71713767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).