[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone

C18H16FN3OS — CID 67856734

IUPAC[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESCN1CC=C(c2cn(C(=O)c3nccs3)c3ccc(F)cc23)CC1
InChIInChI=1S/C18H16FN3OS/c1-21-7-4-12(5-8-21)15-11-22(18(23)17-20-6-9-24-17)16-3-2-13(19)10-14(15)16/h2-4,6,9-11H,5,7-8H2,1H3
InChIKeyYBAPNWPCYSKRRJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.64
Rot. Bonds2

About [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone

[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 67856734) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID67856734
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESCN1CC=C(c2cn(C(=O)c3nccs3)c3ccc(F)cc23)CC1
InChIInChI=1S/C18H16FN3OS/c1-21-7-4-12(5-8-21)15-11-22(18(23)17-20-6-9-24-17)16-3-2-13(19)10-14(15)16/h2-4,6,9-11H,5,7-8H2,1H3
InChIKeyYBAPNWPCYSKRRJ-UHFFFAOYSA-N
XLogP3.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone
CID 19753547
1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole
CID 151634144
7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
CID 59259410
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 24743560
5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 15648963
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 68603216
5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole
CID 158837442
6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)
CID 157304519
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline
CID 160697018
[3-(4-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840992
4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 155270648

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone (CID 67856734) is [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone is CN1CC=C(c2cn(C(=O)c3nccs3)c3ccc(F)cc23)CC1.
What is the InChIKey of [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is YBAPNWPCYSKRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-21-7-4-12(5-8-21)15-11-22(18(23)17-20-6-9-24-17)16-3-2-13(19)10-14(15)16/h2-4,6,9-11H,5,7-8H2,1H3.
What are the key properties of [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone?
[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 67856734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).