ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine

C18H23FN4S — CID 171489069

IUPACethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine
SMILESC=C1NCCc2nc(-c3ccc(N4CCCC4)nc3F)sc21.CC
InChIInChI=1S/C16H17FN4S.C2H6/c1-10-14-12(6-7-18-10)19-16(22-14)11-4-5-13(20-15(11)17)21-8-2-3-9-21;1-2/h4-5,18H,1-3,6-9H2;1-2H3
InChIKeyAFWKJZJHLLSJKU-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.09
Rot. Bonds2

About ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine

ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 171489069) has the molecular formula C18H23FN4S and a molecular weight of 346.48 g/mol. Its IUPAC name is ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Nameethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID171489069
Molecular FormulaC18H23FN4S
Molecular Weight346.48 g/mol
Exact Mass346.16
IUPAC Nameethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine
SMILESC=C1NCCc2nc(-c3ccc(N4CCCC4)nc3F)sc21.CC
InChIInChI=1S/C16H17FN4S.C2H6/c1-10-14-12(6-7-18-10)19-16(22-14)11-4-5-13(20-15(11)17)21-8-2-3-9-21;1-2/h4-5,18H,1-3,6-9H2;1-2H3
InChIKeyAFWKJZJHLLSJKU-UHFFFAOYSA-N
XLogP4.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(6-fluoro-3-pyridinyl)-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489058
tert-butyl 2-[2-fluoro-6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 177360579
2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 177360567
2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 158376863
2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489074
2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 167073497
2-[2-fluoro-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
CID 177360550
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475237
2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 166859235
2-fluoro-6-morpholin-4-ylpyridin-3-amine
CID 118234472
4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine
CID 143568149
2-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475252

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine (CID 171489069) is ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine is C=C1NCCc2nc(-c3ccc(N4CCCC4)nc3F)sc21.CC.
What is the InChIKey of ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is AFWKJZJHLLSJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4S.C2H6/c1-10-14-12(6-7-18-10)19-16(22-14)11-4-5-13(20-15(11)17)21-8-2-3-9-21;1-2/h4-5,18H,1-3,6-9H2;1-2H3.
What are the key properties of ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine?
ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 346.48 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 171489069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).