1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one

C14H17N3OS — CID 79142513

IUPAC1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one
SMILESCc1ccc2nc(NC3CCC(=O)N(C)C3)sc2c1
InChIInChI=1S/C14H17N3OS/c1-9-3-5-11-12(7-9)19-14(16-11)15-10-4-6-13(18)17(2)8-10/h3,5,7,10H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyJLYQSWQCDFMZMK-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.64
Rot. Bonds2

About 1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one

1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one (PubChem CID 79142513) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one
PubChem CID79142513
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one
SMILESCc1ccc2nc(NC3CCC(=O)N(C)C3)sc2c1
InChIInChI=1S/C14H17N3OS/c1-9-3-5-11-12(7-9)19-14(16-11)15-10-4-6-13(18)17(2)8-10/h3,5,7,10H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyJLYQSWQCDFMZMK-UHFFFAOYSA-N
XLogP2.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 80713313
N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142849
1-methyl-5-(4-methyl-2-nitroanilino)piperidin-2-one
CID 64667803
6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 114108893
5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one
CID 102768578
6-methyl-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 78908981
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18126296
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17081409
N-(2,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142430
4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenecarbothioamide
CID 64669623
1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171767458

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one (CID 79142513) is 1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one is Cc1ccc2nc(NC3CCC(=O)N(C)C3)sc2c1.
What is the InChIKey of 1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one?
The InChIKey is JLYQSWQCDFMZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-3-5-11-12(7-9)19-14(16-11)15-10-4-6-13(18)17(2)8-10/h3,5,7,10H,4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one?
1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one has a molecular weight of 275.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 79142513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).