5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide

C19H21N3O2S — CID 4877165

IUPAC5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H21N3O2S/c1-12-6-5-7-13(2)22(12)21-18(23)15-10-11-16(24-15)19-20-14-8-3-4-9-17(14)25-19/h3-4,8-13H,5-7H2,1-2H3,(H,21,23)
InChIKeyLAQNKSQSXFIGPU-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.46
Rot. Bonds3

About 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide (PubChem CID 4877165) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
PubChem CID4877165
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H21N3O2S/c1-12-6-5-7-13(2)22(12)21-18(23)15-10-11-16(24-15)19-20-14-8-3-4-9-17(14)25-19/h3-4,8-13H,5-7H2,1-2H3,(H,21,23)
InChIKeyLAQNKSQSXFIGPU-UHFFFAOYSA-N
XLogP4.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084323
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
cis-(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677630
methyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 71886107
5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide
CID 46476694
5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide
CID 56569015
N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 119611726
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
5-(1,3-benzothiazol-2-yl)-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 119463481
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 112789748

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide (CID 4877165) is 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide is CC1CCCC(C)N1NC(=O)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide?
The InChIKey is LAQNKSQSXFIGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-6-5-7-13(2)22(12)21-18(23)15-10-11-16(24-15)19-20-14-8-3-4-9-17(14)25-19/h3-4,8-13H,5-7H2,1-2H3,(H,21,23).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide is sourced from PubChem (CID 4877165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).