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

C18H17N3O3S — CID 6463099

IUPACN-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H17N3O3S/c22-16(20-18-19-13-4-1-2-6-15(13)25-18)12-7-9-21(10-8-12)17(23)14-5-3-11-24-14/h1-6,11-12H,7-10H2,(H,19,20,22)
InChIKeyLHFPPEQMQKUHES-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.38
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 6463099) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID6463099
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H17N3O3S/c22-16(20-18-19-13-4-1-2-6-15(13)25-18)12-7-9-21(10-8-12)17(23)14-5-3-11-24-14/h1-6,11-12H,7-10H2,(H,19,20,22)
InChIKeyLHFPPEQMQKUHES-UHFFFAOYSA-N
XLogP3.38
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 6463099) is N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1nc2ccccc2s1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is LHFPPEQMQKUHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-16(20-18-19-13-4-1-2-6-15(13)25-18)12-7-9-21(10-8-12)17(23)14-5-3-11-24-14/h1-6,11-12H,7-10H2,(H,19,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 6463099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).