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

C13H18N4OS — CID 63841607

IUPAC5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one
SMILESCc1ncsc1CN(C)CCn1cc(N)ccc1=O
InChIInChI=1S/C13H18N4OS/c1-10-12(19-9-15-10)8-16(2)5-6-17-7-11(14)3-4-13(17)18/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKeyHNVWMOVUQCDMID-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.33
Rot. Bonds5

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

5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one (PubChem CID 63841607) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one
PubChem CID63841607
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one
SMILESCc1ncsc1CN(C)CCn1cc(N)ccc1=O
InChIInChI=1S/C13H18N4OS/c1-10-12(19-9-15-10)8-16(2)5-6-17-7-11(14)3-4-13(17)18/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKeyHNVWMOVUQCDMID-UHFFFAOYSA-N
XLogP1.33
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]aniline
CID 63843467
5-amino-1-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]pyridin-2-one
CID 43574950
4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline
CID 115342144
5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one
CID 61426276
5-amino-1-[2-[methyl(2-propan-2-yloxyethyl)amino]ethyl]pyridin-2-one
CID 81058464
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63823450
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
CID 63843470
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
5-amino-1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]pyridin-2-one
CID 114948024
5-amino-1-[2-[ethyl(propyl)amino]ethyl]pyridin-2-one
CID 43268319

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one (CID 63841607) is 5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one is Cc1ncsc1CN(C)CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one?
The InChIKey is HNVWMOVUQCDMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-12(19-9-15-10)8-16(2)5-6-17-7-11(14)3-4-13(17)18/h3-4,7,9H,5-6,8,14H2,1-2H3.
What are the key properties of 5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one?
5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one has a molecular weight of 278.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one is sourced from PubChem (CID 63841607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).