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

C14H19N3OS — CID 91829240

IUPAC3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one
SMILESCc1nc(CN(C)Cc2[nH]cc(C)c(=O)c2C)cs1
InChIInChI=1S/C14H19N3OS/c1-9-5-15-13(10(2)14(9)18)7-17(4)6-12-8-19-11(3)16-12/h5,8H,6-7H2,1-4H3,(H,15,18)
InChIKeyAHKOQKTUTWWCOL-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.39
Rot. Bonds4

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

3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one (PubChem CID 91829240) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one
PubChem CID91829240
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one
SMILESCc1nc(CN(C)Cc2[nH]cc(C)c(=O)c2C)cs1
InChIInChI=1S/C14H19N3OS/c1-9-5-15-13(10(2)14(9)18)7-17(4)6-12-8-19-11(3)16-12/h5,8H,6-7H2,1-4H3,(H,15,18)
InChIKeyAHKOQKTUTWWCOL-UHFFFAOYSA-N
XLogP2.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one with MolForge

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
2-[[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 134709787
potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
CID 63704903
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
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2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 62051275
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 86852399
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
2-bromo-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]aniline
CID 113335112
N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 55088905
1-N,4,4-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,3-diamine
CID 62622999
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]but-2-ene-1,4-diamine
CID 77110787
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 42609218

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one (CID 91829240) is 3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one is Cc1nc(CN(C)Cc2[nH]cc(C)c(=O)c2C)cs1.
What is the InChIKey of 3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one?
The InChIKey is AHKOQKTUTWWCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-5-15-13(10(2)14(9)18)7-17(4)6-12-8-19-11(3)16-12/h5,8H,6-7H2,1-4H3,(H,15,18).
What are the key properties of 3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one?
3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one has a molecular weight of 277.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 91829240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).