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

C19H19N3O3S — CID 71786717

IUPACN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1nc2ccccc2s1
InChIInChI=1S/C19H19N3O3S/c23-17(18-21-15-3-1-2-4-16(15)26-18)20-11-13-5-8-22(9-6-13)19(24)14-7-10-25-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,23)
InChIKeyBCAPNXDLHYYPMV-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.17
Rot. Bonds4

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

N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 71786717) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID71786717
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1nc2ccccc2s1
InChIInChI=1S/C19H19N3O3S/c23-17(18-21-15-3-1-2-4-16(15)26-18)20-11-13-5-8-22(9-6-13)19(24)14-7-10-25-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,23)
InChIKeyBCAPNXDLHYYPMV-UHFFFAOYSA-N
XLogP3.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 122161792
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 71786690
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 90521763
N-[(1-phenylpyrrolidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 73168222
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109178
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
CID 90522000
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 90521933
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 121109173
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 45173814
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide (CID 71786717) is N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide is O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1nc2ccccc2s1.
What is the InChIKey of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is BCAPNXDLHYYPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-17(18-21-15-3-1-2-4-16(15)26-18)20-11-13-5-8-22(9-6-13)19(24)14-7-10-25-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,23).
What are the key properties of N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide?
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 71786717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).