4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one

C12H21N3O2S — CID 106381776

IUPAC4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC1(CNCc2csc(=O)[nH]2)CCNCC1
InChIInChI=1S/C12H21N3O2S/c1-17-9-12(2-4-13-5-3-12)8-14-6-10-7-18-11(16)15-10/h7,13-14H,2-6,8-9H2,1H3,(H,15,16)
InChIKeyXWLLRTPSYPERAI-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.54
Rot. Bonds6

About 4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381776) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381776
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC1(CNCc2csc(=O)[nH]2)CCNCC1
InChIInChI=1S/C12H21N3O2S/c1-17-9-12(2-4-13-5-3-12)8-14-6-10-7-18-11(16)15-10/h7,13-14H,2-6,8-9H2,1H3,(H,15,16)
InChIKeyXWLLRTPSYPERAI-UHFFFAOYSA-N
XLogP0.54
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(oxan-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380088
4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380436
4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 106381275
4-[[[4-(aminomethyl)oxan-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381764
4-[[(4-propylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381767
4-[[(4-methylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381823
4-[[(4-aminooxan-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381904
4-[[(4-ethylpiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181547
4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114284477
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 120888269
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 120888270

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381776) is 4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one is COCC1(CNCc2csc(=O)[nH]2)CCNCC1.
What is the InChIKey of 4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XWLLRTPSYPERAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-17-9-12(2-4-13-5-3-12)8-14-6-10-7-18-11(16)15-10/h7,13-14H,2-6,8-9H2,1H3,(H,15,16).
What are the key properties of 4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 271.39 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(methoxymethyl)piperidin-4-yl]methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).