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

C14H10FN3O2S2 — CID 5147688

IUPACN-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccco1
InChIInChI=1S/C14H10FN3O2S2/c15-10-4-1-3-9(7-10)8-21-14-18-17-13(22-14)16-12(19)11-5-2-6-20-11/h1-7H,8H2,(H,16,17,19)
InChIKeyIGWMQMMVWXYAPF-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.81
Rot. Bonds5

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

N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 5147688) has the molecular formula C14H10FN3O2S2 and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID5147688
Molecular FormulaC14H10FN3O2S2
Molecular Weight335.39 g/mol
Exact Mass335.02
IUPAC NameN-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccco1
InChIInChI=1S/C14H10FN3O2S2/c15-10-4-1-3-9(7-10)8-21-14-18-17-13(22-14)16-12(19)11-5-2-6-20-11/h1-7H,8H2,(H,16,17,19)
InChIKeyIGWMQMMVWXYAPF-UHFFFAOYSA-N
XLogP3.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.81
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-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
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
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 1250258
Ethyl 2-((5-(furan-2-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetate
CID 3570554
N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 7190957
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8414062

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 5147688) is N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccco1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is IGWMQMMVWXYAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S2/c15-10-4-1-3-9(7-10)8-21-14-18-17-13(22-14)16-12(19)11-5-2-6-20-11/h1-7H,8H2,(H,16,17,19).
What are the key properties of N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 5147688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).