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

C10H11N3O3S2 — CID 2218585

IUPACN-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOCCSc1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C10H11N3O3S2/c1-15-5-6-17-10-13-12-9(18-10)11-8(14)7-3-2-4-16-7/h2-4H,5-6H2,1H3,(H,11,12,14)
InChIKeyZBELOHMPUSLYEE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.12
Rot. Bonds6

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

N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 2218585) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID2218585
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC NameN-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOCCSc1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C10H11N3O3S2/c1-15-5-6-17-10-13-12-9(18-10)11-8(14)7-3-2-4-16-7/h2-4H,5-6H2,1H3,(H,11,12,14)
InChIKeyZBELOHMPUSLYEE-UHFFFAOYSA-N
XLogP2.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(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
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 22517562

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 2218585) is N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is COCCSc1nnc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is ZBELOHMPUSLYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S2/c1-15-5-6-17-10-13-12-9(18-10)11-8(14)7-3-2-4-16-7/h2-4H,5-6H2,1H3,(H,11,12,14).
What are the key properties of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2218585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).