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

C13H8FN3O2S — CID 860502

IUPACN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2F)s1)c1ccco1
InChIInChI=1S/C13H8FN3O2S/c14-9-5-2-1-4-8(9)12-16-17-13(20-12)15-11(18)10-6-3-7-19-10/h1-7H,(H,15,17,18)
InChIKeyUFNDJDUCRKVECA-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.19
Rot. Bonds3

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

N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 860502) has the molecular formula C13H8FN3O2S and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID860502
Molecular FormulaC13H8FN3O2S
Molecular Weight289.29 g/mol
Exact Mass289.03
IUPAC NameN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2F)s1)c1ccco1
InChIInChI=1S/C13H8FN3O2S/c14-9-5-2-1-4-8(9)12-16-17-13(20-12)15-11(18)10-6-3-7-19-10/h1-7H,(H,15,17,18)
InChIKeyUFNDJDUCRKVECA-UHFFFAOYSA-N
XLogP3.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 17397231
1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 808856
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 686182
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 796709
N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 38782851
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
CID 156585106
N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 7322531
N-(5-bromo-1,3-thiazol-2-yl)furan-2-carboxamide
CID 60655632
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
4-fluoro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3656618

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 860502) is N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(-c2ccccc2F)s1)c1ccco1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is UFNDJDUCRKVECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2S/c14-9-5-2-1-4-8(9)12-16-17-13(20-12)15-11(18)10-6-3-7-19-10/h1-7H,(H,15,17,18).
What are the key properties of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 860502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).