N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride

C14H19ClN4O2S2 — CID 171668669

IUPACN-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(SCCN2CCCCC2)s1)c1ccco1
InChIInChI=1S/C14H18N4O2S2.ClH/c19-12(11-5-4-9-20-11)15-13-16-17-14(22-13)21-10-8-18-6-2-1-3-7-18;/h4-5,9H,1-3,6-8,10H2,(H,15,16,19);1H
InChIKeyFVZNZQNGIRXKBF-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.38
Rot. Bonds6

About N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride

N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 171668669) has the molecular formula C14H19ClN4O2S2 and a molecular weight of 374.92 g/mol. Its IUPAC name is N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID171668669
Molecular FormulaC14H19ClN4O2S2
Molecular Weight374.92 g/mol
Exact Mass374.06
IUPAC NameN-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(SCCN2CCCCC2)s1)c1ccco1
InChIInChI=1S/C14H18N4O2S2.ClH/c19-12(11-5-4-9-20-11)15-13-16-17-14(22-13)21-10-8-18-6-2-1-3-7-18;/h4-5,9H,1-3,6-8,10H2,(H,15,16,19);1H
InChIKeyFVZNZQNGIRXKBF-UHFFFAOYSA-N
XLogP3.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride 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-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride (CID 171668669) is N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride is Cl.O=C(Nc1nnc(SCCN2CCCCC2)s1)c1ccco1.
What is the InChIKey of N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is FVZNZQNGIRXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2.ClH/c19-12(11-5-4-9-20-11)15-13-16-17-14(22-13)21-10-8-18-6-2-1-3-7-18;/h4-5,9H,1-3,6-8,10H2,(H,15,16,19);1H.
What are the key properties of N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride?
N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 374.92 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 171668669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).