N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

C19H18N4O4S — CID 30864378

IUPACN-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C19H18N4O4S/c24-19(20-13-3-4-14-16(10-13)27-11-26-14)23-7-5-12(6-8-23)17-21-22-18(28-17)15-2-1-9-25-15/h1-4,9-10,12H,5-8,11H2,(H,20,24)
InChIKeyFBXIAIAFUINKIC-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.94
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 30864378) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
PubChem CID30864378
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C19H18N4O4S/c24-19(20-13-3-4-14-16(10-13)27-11-26-14)23-7-5-12(6-8-23)17-21-22-18(28-17)15-2-1-9-25-15/h1-4,9-10,12H,5-8,11H2,(H,20,24)
InChIKeyFBXIAIAFUINKIC-UHFFFAOYSA-N
XLogP3.94
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-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-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (CID 30864378) is N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is FBXIAIAFUINKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c24-19(20-13-3-4-14-16(10-13)27-11-26-14)23-7-5-12(6-8-23)17-21-22-18(28-17)15-2-1-9-25-15/h1-4,9-10,12H,5-8,11H2,(H,20,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 30864378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).