1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C19H19N3O3S — CID 6464166

IUPAC1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cccc2sc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)nc12
InChIInChI=1S/C19H19N3O3S/c1-12-4-2-6-15-16(12)20-19(26-15)21-17(23)13-7-9-22(10-8-13)18(24)14-5-3-11-25-14/h2-6,11,13H,7-10H2,1H3,(H,20,21,23)
InChIKeyVAVTUMQGNHYYDR-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.69
Rot. Bonds3

About 1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 6464166) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID6464166
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cccc2sc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)nc12
InChIInChI=1S/C19H19N3O3S/c1-12-4-2-6-15-16(12)20-19(26-15)21-17(23)13-7-9-22(10-8-13)18(24)14-5-3-11-25-14/h2-6,11,13H,7-10H2,1H3,(H,20,21,23)
InChIKeyVAVTUMQGNHYYDR-UHFFFAOYSA-N
XLogP3.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 6464166) is 1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is Cc1cccc2sc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)nc12.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is VAVTUMQGNHYYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-4-2-6-15-16(12)20-19(26-15)21-17(23)13-7-9-22(10-8-13)18(24)14-5-3-11-25-14/h2-6,11,13H,7-10H2,1H3,(H,20,21,23).
What are the key properties of 1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6464166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).