1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

C19H18FN3OS — CID 148852566

IUPAC1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cncs3)ncc2cn1)C1(F)CCCCC1
InChIInChI=1S/C19H18FN3OS/c20-19(4-2-1-3-5-19)18(24)8-15-6-13-7-16(17-11-21-12-25-17)23-10-14(13)9-22-15/h6-7,9-12H,1-5,8H2
InChIKeyOXSYAASNYMISQM-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.54
Rot. Bonds4

About 1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 148852566) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID148852566
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cncs3)ncc2cn1)C1(F)CCCCC1
InChIInChI=1S/C19H18FN3OS/c20-19(4-2-1-3-5-19)18(24)8-15-6-13-7-16(17-11-21-12-25-17)23-10-14(13)9-22-15/h6-7,9-12H,1-5,8H2
InChIKeyOXSYAASNYMISQM-UHFFFAOYSA-N
XLogP4.54
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Phenyl-1-(5-(pyridin-2-yl)-thiazol-2-yl)-heptan-1-one
CID 24950364
[3-Amino-4-(3-pyridinyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl](4-fluorophenyl)methanone
CID 1215687
2-[5-(3-fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11177087
2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11292543
2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11361614
2-(3-Fluoro-4-pyridinyl)-1-(13-pyridin-3-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
CID 58164784
2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 58584432
1-[2-[6-(4-Fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone
CID 59149681
2-[5-[3-(1,1-difluoroethyl)-5-pyridin-3-ylphenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 70315979
2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 91162501
1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138590181
1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one
CID 146707201

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (CID 148852566) is 1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is O=C(Cc1cc2cc(-c3cncs3)ncc2cn1)C1(F)CCCCC1.
What is the InChIKey of 1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is OXSYAASNYMISQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-19(4-2-1-3-5-19)18(24)8-15-6-13-7-16(17-11-21-12-25-17)23-10-14(13)9-22-15/h6-7,9-12H,1-5,8H2.
What are the key properties of 1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 148852566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).