2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

C16H15FN2OS — CID 107658174

IUPAC2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESCc1cccc(Oc2nc3c(cc2C(N)=S)CCC3)c1F
InChIInChI=1S/C16H15FN2OS/c1-9-4-2-7-13(14(9)17)20-16-11(15(18)21)8-10-5-3-6-12(10)19-16/h2,4,7-8H,3,5-6H2,1H3,(H2,18,21)
InChIKeySDSQIXXGFJODJC-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.44
Rot. Bonds3

About 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (PubChem CID 107658174) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
PubChem CID107658174
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESCc1cccc(Oc2nc3c(cc2C(N)=S)CCC3)c1F
InChIInChI=1S/C16H15FN2OS/c1-9-4-2-7-13(14(9)17)20-16-11(15(18)21)8-10-5-3-6-12(10)19-16/h2,4,7-8H,3,5-6H2,1H3,(H2,18,21)
InChIKeySDSQIXXGFJODJC-UHFFFAOYSA-N
XLogP3.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 107658503
2-(3-bromo-4-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 83231847
2-(3-bromo-5-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 81315478
2-(3,3,3-trifluoropropoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82954112
2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 64601179
2-(3-fluoro-2-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 63519080
2-(oxetan-3-yloxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 102606356
2-(3,3-dimethylbutoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 66232715
2-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 66277185
2-(3-chloro-2-fluoroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 63518194
2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63649585
2-(2-fluoro-5-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 63520458

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (CID 107658174) is 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is Cc1cccc(Oc2nc3c(cc2C(N)=S)CCC3)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The InChIKey is SDSQIXXGFJODJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-9-4-2-7-13(14(9)17)20-16-11(15(18)21)8-10-5-3-6-12(10)19-16/h2,4,7-8H,3,5-6H2,1H3,(H2,18,21).
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide has a molecular weight of 302.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is sourced from PubChem (CID 107658174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).