N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide

C14H19N3O2S — CID 51083284

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCC1CCc2nc(NC(=O)C3CCC(=O)NC3)sc2C1
InChIInChI=1S/C14H19N3O2S/c1-8-2-4-10-11(6-8)20-14(16-10)17-13(19)9-3-5-12(18)15-7-9/h8-9H,2-7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyVVXXYFTUKPEEDQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.73
Rot. Bonds2

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 51083284) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID51083284
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCC1CCc2nc(NC(=O)C3CCC(=O)NC3)sc2C1
InChIInChI=1S/C14H19N3O2S/c1-8-2-4-10-11(6-8)20-14(16-10)17-13(19)9-3-5-12(18)15-7-9/h8-9H,2-7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyVVXXYFTUKPEEDQ-UHFFFAOYSA-N
XLogP1.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 112729141
1-acetyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 110246357
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 47199587
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119271144
1-(1-methylpiperidine-4-carbonyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 110246358
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 5173800
(1S,2R,3R,4S)-3-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98211371
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110226476
1-(4-fluorophenyl)sulfonyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 110246356
N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62943290

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 51083284) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide is CC1CCc2nc(NC(=O)C3CCC(=O)NC3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is VVXXYFTUKPEEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-2-4-10-11(6-8)20-14(16-10)17-13(19)9-3-5-12(18)15-7-9/h8-9H,2-7H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 51083284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).