1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one

C12H15N3OS — CID 54863936

IUPAC1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one
SMILESCCn1cc(NCc2csc(C)n2)ccc1=O
InChIInChI=1S/C12H15N3OS/c1-3-15-7-10(4-5-12(15)16)13-6-11-8-17-9(2)14-11/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyGMIFPHXBUCIYSU-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.25
Rot. Bonds4

About 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one

1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one (PubChem CID 54863936) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one
PubChem CID54863936
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one
SMILESCCn1cc(NCc2csc(C)n2)ccc1=O
InChIInChI=1S/C12H15N3OS/c1-3-15-7-10(4-5-12(15)16)13-6-11-8-17-9(2)14-11/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyGMIFPHXBUCIYSU-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one
CID 62755967
5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one
CID 103398925
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 30049651
N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 28781201
5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
CID 54864001
[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745271
1-ethyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63950885
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704477
3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780943

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one (CID 54863936) is 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one is CCn1cc(NCc2csc(C)n2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one?
The InChIKey is GMIFPHXBUCIYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-15-7-10(4-5-12(15)16)13-6-11-8-17-9(2)14-11/h4-5,7-8,13H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one?
1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one has a molecular weight of 249.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 54863936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).