N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride

C14H17ClN4OS2 — CID 119677563

IUPACN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(SCc2ccccc2)s1)C1CCNC1
InChIInChI=1S/C14H16N4OS2.ClH/c19-12(11-6-7-15-8-11)16-13-17-18-14(21-13)20-9-10-4-2-1-3-5-10;/h1-5,11,15H,6-9H2,(H,16,17,19);1H
InChIKeyFUISUIWGUYWREG-UHFFFAOYSA-N
MW356.90 g/mol
LogP2.80
Rot. Bonds5

About N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119677563) has the molecular formula C14H17ClN4OS2 and a molecular weight of 356.90 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119677563
Molecular FormulaC14H17ClN4OS2
Molecular Weight356.90 g/mol
Exact Mass356.05
IUPAC NameN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(SCc2ccccc2)s1)C1CCNC1
InChIInChI=1S/C14H16N4OS2.ClH/c19-12(11-6-7-15-8-11)16-13-17-18-14(21-13)20-9-10-4-2-1-3-5-10;/h1-5,11,15H,6-9H2,(H,16,17,19);1H
InChIKeyFUISUIWGUYWREG-UHFFFAOYSA-N
XLogP2.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-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

Related Compounds

N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 8800522
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 119677545
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 133160665
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 3591785
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100685419
1-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 2541605
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24591063
1-amino-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119264879
4-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 4882531
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55527605
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-bromobenzamide
CID 7742213
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 55883931

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 119677563) is N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1nnc(SCc2ccccc2)s1)C1CCNC1.
What is the InChIKey of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is FUISUIWGUYWREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2.ClH/c19-12(11-6-7-15-8-11)16-13-17-18-14(21-13)20-9-10-4-2-1-3-5-10;/h1-5,11,15H,6-9H2,(H,16,17,19);1H.
What are the key properties of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119677563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).