N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide

C18H19N3O2S — CID 121109173

IUPACN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccco1
InChIInChI=1S/C18H19N3O2S/c22-17(15-5-3-11-23-15)19-12-13-7-9-21(10-8-13)18-20-14-4-1-2-6-16(14)24-18/h1-6,11,13H,7-10,12H2,(H,19,22)
InChIKeyWLIOFYDHIPIEBO-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.54
Rot. Bonds4

About N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide

N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide (PubChem CID 121109173) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide
PubChem CID121109173
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide
SMILESO=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccco1
InChIInChI=1S/C18H19N3O2S/c22-17(15-5-3-11-23-15)19-12-13-7-9-21(10-8-13)18-20-14-4-1-2-6-16(14)24-18/h1-6,11,13H,7-10,12H2,(H,19,22)
InChIKeyWLIOFYDHIPIEBO-UHFFFAOYSA-N
XLogP3.54
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide (CID 121109173) is N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide is O=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccco1.
What is the InChIKey of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide?
The InChIKey is WLIOFYDHIPIEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17(15-5-3-11-23-15)19-12-13-7-9-21(10-8-13)18-20-14-4-1-2-6-16(14)24-18/h1-6,11,13H,7-10,12H2,(H,19,22).
What are the key properties of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide?
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 121109173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).