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

C10H15N3OS — CID 63378448

IUPAC5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one
SMILESCc1ncc(CNC2CCC(=O)NC2)s1
InChIInChI=1S/C10H15N3OS/c1-7-11-5-9(15-7)6-12-8-2-3-10(14)13-4-8/h5,8,12H,2-4,6H2,1H3,(H,13,14)
InChIKeyNBBLHVQRXPWFNU-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.82
Rot. Bonds3

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

5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one (PubChem CID 63378448) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one
PubChem CID63378448
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one
SMILESCc1ncc(CNC2CCC(=O)NC2)s1
InChIInChI=1S/C10H15N3OS/c1-7-11-5-9(15-7)6-12-8-2-3-10(14)13-4-8/h5,8,12H,2-4,6H2,1H3,(H,13,14)
InChIKeyNBBLHVQRXPWFNU-UHFFFAOYSA-N
XLogP0.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
CID 63622731
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 60941990
5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103250865
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
5-(1,2,5-thiadiazol-3-ylmethylamino)piperidin-2-one
CID 130986202
5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carbonitrile
CID 115675832
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
CID 79459261
(5S)-5-(ethylamino)piperidin-2-one
CID 89165627
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one?
The IUPAC name of 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one (CID 63378448) is 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one?
The canonical SMILES for 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one is Cc1ncc(CNC2CCC(=O)NC2)s1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one?
The InChIKey is NBBLHVQRXPWFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-11-5-9(15-7)6-12-8-2-3-10(14)13-4-8/h5,8,12H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one?
5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one has a molecular weight of 225.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 63378448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).