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

C12H21N3OS — CID 114181548

IUPAC4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CCCNC1CNCc1csc(=O)[nH]1
InChIInChI=1S/C12H21N3OS/c1-12(2)4-3-5-14-10(12)7-13-6-9-8-17-11(16)15-9/h8,10,13-14H,3-7H2,1-2H3,(H,15,16)
InChIKeyJZDQZFXMXQSQNS-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.30
Rot. Bonds4

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

4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181548) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181548
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CCCNC1CNCc1csc(=O)[nH]1
InChIInChI=1S/C12H21N3OS/c1-12(2)4-3-5-14-10(12)7-13-6-9-8-17-11(16)15-9/h8,10,13-14H,3-7H2,1-2H3,(H,15,16)
InChIKeyJZDQZFXMXQSQNS-UHFFFAOYSA-N
XLogP1.30
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381858
N-[(5-chlorothiophen-2-yl)methyl]-1-(3,3-dimethylpiperidin-2-yl)methanamine
CID 114084469
4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379627
4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381856
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381713
N-cyclopentyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
CID 106380797
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 120670741
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 106382408
2-(3,3-dimethylpiperidin-2-yl)acetic acid
CID 10631009
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
N-[(3,3-dimethylpiperidin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 114083950
N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120670986

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 114181548) is 4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC1(C)CCCNC1CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is JZDQZFXMXQSQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2)4-3-5-14-10(12)7-13-6-9-8-17-11(16)15-9/h8,10,13-14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 255.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).