5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one

C14H17N3OS — CID 64656359

IUPAC5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NCc2nc3ccccc3s2)CCC1=O
InChIInChI=1S/C14H17N3OS/c1-17-9-10(6-7-14(17)18)15-8-13-16-11-4-2-3-5-12(11)19-13/h2-5,10,15H,6-9H2,1H3
InChIKeyBWDSATPRWCPMON-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.01
Rot. Bonds3

About 5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one

5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one (PubChem CID 64656359) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one
PubChem CID64656359
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NCc2nc3ccccc3s2)CCC1=O
InChIInChI=1S/C14H17N3OS/c1-17-9-10(6-7-14(17)18)15-8-13-16-11-4-2-3-5-12(11)19-13/h2-5,10,15H,6-9H2,1H3
InChIKeyBWDSATPRWCPMON-UHFFFAOYSA-N
XLogP2.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 28665108
1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidin-2-one
CID 78997796
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
(3S,7S,8aS)-7-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 126461516
1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one
CID 79267253
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiolan-3-amine
CID 79942790
N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
CID 65082467
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one (CID 64656359) is 5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one is CN1CC(NCc2nc3ccccc3s2)CCC1=O.
What is the InChIKey of 5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one?
The InChIKey is BWDSATPRWCPMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17-9-10(6-7-14(17)18)15-8-13-16-11-4-2-3-5-12(11)19-13/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one?
5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one has a molecular weight of 275.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one is sourced from PubChem (CID 64656359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).