1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C18H23N3O2S — CID 60526922

IUPAC1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2nc3ccc(C)cc3s2)C1
InChIInChI=1S/C18H23N3O2S/c1-3-5-16(22)21-9-4-6-13(11-21)17(23)20-18-19-14-8-7-12(2)10-15(14)24-18/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,19,20,23)
InChIKeyFANTZYIDTILDDW-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.58
Rot. Bonds4

About 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 60526922) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID60526922
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2nc3ccc(C)cc3s2)C1
InChIInChI=1S/C18H23N3O2S/c1-3-5-16(22)21-9-4-6-13(11-21)17(23)20-18-19-14-8-7-12(2)10-15(14)24-18/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,19,20,23)
InChIKeyFANTZYIDTILDDW-UHFFFAOYSA-N
XLogP3.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46491452
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60521447
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55628957
(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 25361437
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795
(2S)-1-(3-aminopropanoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 134235943
1-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981004
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907639
N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide
CID 119039024

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 60526922) is 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)Nc2nc3ccc(C)cc3s2)C1.
What is the InChIKey of 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is FANTZYIDTILDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-5-16(22)21-9-4-6-13(11-21)17(23)20-18-19-14-8-7-12(2)10-15(14)24-18/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,19,20,23).
What are the key properties of 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 60526922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).