1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone

C20H20FN3OS — CID 153091535

IUPAC1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
SMILESCN1CCC(F)(C(=O)Cc2cc3cc(-c4cncs4)ccc3cn2)CC1
InChIInChI=1S/C20H20FN3OS/c1-24-6-4-20(21,5-7-24)19(25)10-17-9-16-8-14(18-12-22-13-26-18)2-3-15(16)11-23-17/h2-3,8-9,11-13H,4-7,10H2,1H3
InChIKeyVPGGEGJZIUFNDU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.90
Rot. Bonds4

About 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone

1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone (PubChem CID 153091535) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
PubChem CID153091535
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
SMILESCN1CCC(F)(C(=O)Cc2cc3cc(-c4cncs4)ccc3cn2)CC1
InChIInChI=1S/C20H20FN3OS/c1-24-6-4-20(21,5-7-24)19(25)10-17-9-16-8-14(18-12-22-13-26-18)2-3-15(16)11-23-17/h2-3,8-9,11-13H,4-7,10H2,1H3
InChIKeyVPGGEGJZIUFNDU-UHFFFAOYSA-N
XLogP3.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone with MolForge

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Related Compounds

ALP-POS-c3a96089-1
CID 156906886
2-[5-(3-Fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11166285
2-[5-(3-Fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11166286
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-3-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11316345
2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11361614
2-[5-(3-Fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
CID 11604377
7,7-Dimethyl-2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6,8-dihydroquinolin-5-one
CID 11612676
6,6-Dimethyl-2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydroquinolin-5-one
CID 11619935
2-[5-(3-Fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
CID 11711646
2-[5-(3-Fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
CID 11718918

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone (CID 153091535) is 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone is CN1CCC(F)(C(=O)Cc2cc3cc(-c4cncs4)ccc3cn2)CC1.
What is the InChIKey of 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone?
The InChIKey is VPGGEGJZIUFNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-24-6-4-20(21,5-7-24)19(25)10-17-9-16-8-14(18-12-22-13-26-18)2-3-15(16)11-23-17/h2-3,8-9,11-13H,4-7,10H2,1H3.
What are the key properties of 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone?
1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone has a molecular weight of 369.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 153091535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).