1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone

C15H18N2O2S — CID 63836431

IUPAC1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN(C)Cc2scnc2C)c1
InChIInChI=1S/C15H18N2O2S/c1-10-15(20-9-16-10)8-17(3)7-13-6-12(11(2)18)4-5-14(13)19/h4-6,9,19H,7-8H2,1-3H3
InChIKeyNPUNMPGRTFTKAF-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.99
Rot. Bonds5

About 1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone

1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone (PubChem CID 63836431) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone
PubChem CID63836431
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN(C)Cc2scnc2C)c1
InChIInChI=1S/C15H18N2O2S/c1-10-15(20-9-16-10)8-17(3)7-13-6-12(11(2)18)4-5-14(13)19/h4-6,9,19H,7-8H2,1-3H3
InChIKeyNPUNMPGRTFTKAF-UHFFFAOYSA-N
XLogP2.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetic acid
CID 115462913
methyl 2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetate
CID 115462912
2-amino-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenol
CID 55259988
2-(2-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78952141
3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63823278
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63840723
3-chloro-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarbothioamide
CID 102666263
1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone
CID 63838016
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
3-fluoro-N'-hydroxy-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarboximidamide
CID 77009486
3-fluoro-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63837980
1-(4-fluorophenyl)-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-1-one
CID 63838556

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone (CID 63836431) is 1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone is CC(=O)c1ccc(O)c(CN(C)Cc2scnc2C)c1.
What is the InChIKey of 1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone?
The InChIKey is NPUNMPGRTFTKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-15(20-9-16-10)8-17(3)7-13-6-12(11(2)18)4-5-14(13)19/h4-6,9,19H,7-8H2,1-3H3.
What are the key properties of 1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone?
1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone has a molecular weight of 290.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone is sourced from PubChem (CID 63836431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).