1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one

C16H17FN2OS — CID 60943537

IUPAC1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one
SMILESCCn1cc(NC2CCSc3c(F)cccc32)ccc1=O
InChIInChI=1S/C16H17FN2OS/c1-2-19-10-11(6-7-15(19)20)18-14-8-9-21-16-12(14)4-3-5-13(16)17/h3-7,10,14,18H,2,8-9H2,1H3
InChIKeyZMJGCMNZVLXPMM-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.66
Rot. Bonds3

About 1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one

1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one (PubChem CID 60943537) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one
PubChem CID60943537
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one
SMILESCCn1cc(NC2CCSc3c(F)cccc32)ccc1=O
InChIInChI=1S/C16H17FN2OS/c1-2-19-10-11(6-7-15(19)20)18-14-8-9-21-16-12(14)4-3-5-13(16)17/h3-7,10,14,18H,2,8-9H2,1H3
InChIKeyZMJGCMNZVLXPMM-UHFFFAOYSA-N
XLogP3.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43765030
5-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-propylpyridin-2-one
CID 60942800
N-(3-chloro-4-methylphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43757422
8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 66352531
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787749
5-(cyclopropylamino)-1-ethylpyridin-2-one
CID 103439175
1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one
CID 107682187
N-(2-ethoxyphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43758238
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
N-(2-ethylcyclopropyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 113261603
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576
5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one
CID 82689662

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one (CID 60943537) is 1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one is CCn1cc(NC2CCSc3c(F)cccc32)ccc1=O.
What is the InChIKey of 1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one?
The InChIKey is ZMJGCMNZVLXPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-2-19-10-11(6-7-15(19)20)18-14-8-9-21-16-12(14)4-3-5-13(16)17/h3-7,10,14,18H,2,8-9H2,1H3.
What are the key properties of 1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one?
1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one has a molecular weight of 304.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one is sourced from PubChem (CID 60943537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).