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

C19H19N3O2S2 — CID 26175377

IUPACN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-2-12-24-16-10-8-15(9-11-16)17(23)20-18-21-22-19(26-18)25-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,21,23)
InChIKeyQUHMQXOPRZEDCM-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.87
Rot. Bonds8

About N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide (PubChem CID 26175377) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
PubChem CID26175377
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-2-12-24-16-10-8-15(9-11-16)17(23)20-18-21-22-19(26-18)25-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,21,23)
InChIKeyQUHMQXOPRZEDCM-UHFFFAOYSA-N
XLogP4.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylsulfanylethoxy)benzamide
CID 100582559
4-butoxy-N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 4602505
4-hexoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 4565662
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 26175383
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-propoxybenzamide
CID 18864525
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenoxy)benzamide
CID 16651015
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylsulfanylethoxy)benzamide
CID 100770222
3-butoxy-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 18864526
2-[[2-[[5-[(4-butoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid
CID 16896678
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
CID 54787314
4-butoxy-N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 4150621
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methylbutoxy)benzamide
CID 2090708

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
The IUPAC name of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide (CID 26175377) is N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
The canonical SMILES for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
The InChIKey is QUHMQXOPRZEDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-2-12-24-16-10-8-15(9-11-16)17(23)20-18-21-22-19(26-18)25-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,21,23).
What are the key properties of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide has a molecular weight of 385.51 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 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)-4-propoxybenzamide is sourced from PubChem (CID 26175377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).