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

C15H12FN3O2S2 — CID 2984726

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCCSc1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1
InChIInChI=1S/C15H12FN3O2S2/c1-2-22-15-19-18-14(23-15)17-13(20)12-8-7-11(21-12)9-5-3-4-6-10(9)16/h3-8H,2H2,1H3,(H,17,18,20)
InChIKeySHZFHKHQNDVPTN-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.30
Rot. Bonds5

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 2984726) has the molecular formula C15H12FN3O2S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID2984726
Molecular FormulaC15H12FN3O2S2
Molecular Weight349.41 g/mol
Exact Mass349.04
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCCSc1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1
InChIInChI=1S/C15H12FN3O2S2/c1-2-22-15-19-18-14(23-15)17-13(20)12-8-7-11(21-12)9-5-3-4-6-10(9)16/h3-8H,2H2,1H3,(H,17,18,20)
InChIKeySHZFHKHQNDVPTN-UHFFFAOYSA-N
XLogP4.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.30
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

5-(2-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 18194431
1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxoisochromene-3-carboxamide
CID 4911376
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 100502734
N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 100754154
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840707
N-(2-ethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3462704
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 872286
2-(4-bromophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1245551
2-[[5-[(5-methylfuran-2-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283377
5-(2-fluorophenyl)-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 56687387

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide (CID 2984726) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide is CCSc1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is SHZFHKHQNDVPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S2/c1-2-22-15-19-18-14(23-15)17-13(20)12-8-7-11(21-12)9-5-3-4-6-10(9)16/h3-8H,2H2,1H3,(H,17,18,20).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 2984726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).