5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one

C11H11ClN2OS — CID 60930792

IUPAC5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2ccc(Cl)s2)ccc1=O
InChIInChI=1S/C11H11ClN2OS/c1-14-7-8(2-5-11(14)15)13-6-9-3-4-10(12)16-9/h2-5,7,13H,6H2,1H3
InChIKeyFROLUNQQWTYLBI-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.71
Rot. Bonds3

About 5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one

5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one (PubChem CID 60930792) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one
PubChem CID60930792
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2ccc(Cl)s2)ccc1=O
InChIInChI=1S/C11H11ClN2OS/c1-14-7-8(2-5-11(14)15)13-6-9-3-4-10(12)16-9/h2-5,7,13H,6H2,1H3
InChIKeyFROLUNQQWTYLBI-UHFFFAOYSA-N
XLogP2.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345735
5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 102834614
5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one
CID 114842121
5-[(5-ethylfuran-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345999
1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one
CID 61017248
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 28878881
5-[(4-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866090
5-[(5-chlorothiophen-2-yl)methylamino]isoindole-1,3-dione
CID 28619990
2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43713887
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 104815922
4-butan-2-yl-N-[(5-chlorothiophen-2-yl)methyl]aniline
CID 43230074
6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine
CID 115925207

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one (CID 60930792) is 5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one is Cn1cc(NCc2ccc(Cl)s2)ccc1=O.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The InChIKey is FROLUNQQWTYLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-14-7-8(2-5-11(14)15)13-6-9-3-4-10(12)16-9/h2-5,7,13H,6H2,1H3.
What are the key properties of 5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one has a molecular weight of 254.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 60930792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).