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

C12H21N3OS — CID 106379925

IUPAC4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CN(C)C(C)CC1NCc1csc(=O)[nH]1
InChIInChI=1S/C12H21N3OS/c1-8-6-15(3)9(2)4-11(8)13-5-10-7-17-12(16)14-10/h7-9,11,13H,4-6H2,1-3H3,(H,14,16)
InChIKeyWOLFRJHGLISAPF-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.25
Rot. Bonds3

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

4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379925) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379925
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CN(C)C(C)CC1NCc1csc(=O)[nH]1
InChIInChI=1S/C12H21N3OS/c1-8-6-15(3)9(2)4-11(8)13-5-10-7-17-12(16)14-10/h7-9,11,13H,4-6H2,1-3H3,(H,14,16)
InChIKeyWOLFRJHGLISAPF-UHFFFAOYSA-N
XLogP1.25
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380292
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 51115786
2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide
CID 51116332
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 52248049
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 52248051
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
CID 53498283
4-Methyl-3-(piperidin-3-ylmethyl)-1,3-thiazol-2-one
CID 61678275
4-Methyl-3-(piperidin-4-ylmethyl)-1,3-thiazol-2-one
CID 61683922
4-Methyl-3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one
CID 61684236
4-Methyl-3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one
CID 61686375
4-Methyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one
CID 62356701
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 86866495

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379925) is 4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC1CN(C)C(C)CC1NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WOLFRJHGLISAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-6-15(3)9(2)4-11(8)13-5-10-7-17-12(16)14-10/h7-9,11,13H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 255.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).