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

C16H13FN4OS — CID 93242560

IUPAC[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCc2nc(-c3cccc(F)c3)sc2C1
InChIInChI=1S/C16H13FN4OS/c17-11-3-1-2-10(8-11)15-19-12-5-7-21(9-14(12)23-15)16(22)13-4-6-18-20-13/h1-4,6,8H,5,7,9H2,(H,18,20)
InChIKeyIXWCVSXRGDGRCA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.87
Rot. Bonds2

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

[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 93242560) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID93242560
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCc2nc(-c3cccc(F)c3)sc2C1
InChIInChI=1S/C16H13FN4OS/c17-11-3-1-2-10(8-11)15-19-12-5-7-21(9-14(12)23-15)16(22)13-4-6-18-20-13/h1-4,6,8H,5,7,9H2,(H,18,20)
InChIKeyIXWCVSXRGDGRCA-UHFFFAOYSA-N
XLogP2.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone (CID 93242560) is [2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCc2nc(-c3cccc(F)c3)sc2C1.
What is the InChIKey of [2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is IXWCVSXRGDGRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c17-11-3-1-2-10(8-11)15-19-12-5-7-21(9-14(12)23-15)16(22)13-4-6-18-20-13/h1-4,6,8H,5,7,9H2,(H,18,20).
What are the key properties of [2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone?
[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 328.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 93242560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).