1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one

C11H17N3OS — CID 64654695

IUPAC1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one
SMILESCc1nc(CNC2CCC(=O)N(C)C2)cs1
InChIInChI=1S/C11H17N3OS/c1-8-13-10(7-16-8)5-12-9-3-4-11(15)14(2)6-9/h7,9,12H,3-6H2,1-2H3
InChIKeyBLYMEHFRCQFLEC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.16
Rot. Bonds3

About 1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one

1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one (PubChem CID 64654695) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one
PubChem CID64654695
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one
SMILESCc1nc(CNC2CCC(=O)N(C)C2)cs1
InChIInChI=1S/C11H17N3OS/c1-8-13-10(7-16-8)5-12-9-3-4-11(15)14(2)6-9/h7,9,12H,3-6H2,1-2H3
InChIKeyBLYMEHFRCQFLEC-UHFFFAOYSA-N
XLogP1.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidin-2-one
CID 78997796
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
1,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 81325150
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one
CID 64655747
1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
CID 64654324
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
5-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-methylpiperidin-2-one
CID 102836038
5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one
CID 64656359
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one (CID 64654695) is 1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one is Cc1nc(CNC2CCC(=O)N(C)C2)cs1.
What is the InChIKey of 1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one?
The InChIKey is BLYMEHFRCQFLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-13-10(7-16-8)5-12-9-3-4-11(15)14(2)6-9/h7,9,12H,3-6H2,1-2H3.
What are the key properties of 1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one?
1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one has a molecular weight of 239.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 64654695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).