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

C18H18FN3OS — CID 19753547

IUPAC[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone
SMILESCN1CC=C(c2cn(C(=O)N3CC=CS3)c3ccc(F)cc23)CC1
InChIInChI=1S/C18H18FN3OS/c1-20-8-5-13(6-9-20)16-12-21(18(23)22-7-2-10-24-22)17-4-3-14(19)11-15(16)17/h2-5,10-12H,6-9H2,1H3
InChIKeyYFIYXMBFRHNALN-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.94
Rot. Bonds1

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

[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone (PubChem CID 19753547) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone
PubChem CID19753547
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone
SMILESCN1CC=C(c2cn(C(=O)N3CC=CS3)c3ccc(F)cc23)CC1
InChIInChI=1S/C18H18FN3OS/c1-20-8-5-13(6-9-20)16-12-21(18(23)22-7-2-10-24-22)17-4-3-14(19)11-15(16)17/h2-5,10-12H,6-9H2,1H3
InChIKeyYFIYXMBFRHNALN-UHFFFAOYSA-N
XLogP3.94
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(1,3-thiazol-2-yl)methanone
CID 67856734
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
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
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
1-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-thiophen-2-ylindole
CID 151634144
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
N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine
CID 89109951
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
5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole
CID 23288089
2-[1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]ethanesulfonic acid
CID 123897745

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone?
The IUPAC name of [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone (CID 19753547) is [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-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]-(3H-1,2-thiazol-2-yl)methanone?
The canonical SMILES for [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone is CN1CC=C(c2cn(C(=O)N3CC=CS3)c3ccc(F)cc23)CC1.
What is the InChIKey of [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone?
The InChIKey is YFIYXMBFRHNALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-20-8-5-13(6-9-20)16-12-21(18(23)22-7-2-10-24-22)17-4-3-14(19)11-15(16)17/h2-5,10-12H,6-9H2,1H3.
What are the key properties of [5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone?
[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-(3H-1,2-thiazol-2-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 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]-(3H-1,2-thiazol-2-yl)methanone is sourced from PubChem (CID 19753547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).