N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

C10H11N3O2S2 — CID 4260484

IUPACN-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCCSc1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C10H11N3O2S2/c1-2-6-16-10-13-12-9(17-10)11-8(14)7-4-3-5-15-7/h3-5H,2,6H2,1H3,(H,11,12,14)
InChIKeyBDBAKVYSIUWNPQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.89
Rot. Bonds5

About N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 4260484) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID4260484
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCCSc1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C10H11N3O2S2/c1-2-6-16-10-13-12-9(17-10)11-8(14)7-4-3-5-15-7/h3-5H,2,6H2,1H3,(H,11,12,14)
InChIKeyBDBAKVYSIUWNPQ-UHFFFAOYSA-N
XLogP2.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.89
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-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 744744
N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-(2-propyltetrazol-5-yl)furan-2-carboxamide
CID 894157
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(2-furyl)acrylamide
CID 903368
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
4,5-dimethyl-N-1,3,4-thiadiazol-2-yl-2-furamide
CID 2991856
Ethyl 2-((5-(furan-2-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetate
CID 3570554
N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 5147688

Frequently Asked Questions

What is the IUPAC name of N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 4260484) is N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is CCCSc1nnc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is BDBAKVYSIUWNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-2-6-16-10-13-12-9(17-10)11-8(14)7-4-3-5-15-7/h3-5H,2,6H2,1H3,(H,11,12,14).
What are the key properties of N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 4260484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).