4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide

C21H14FN3O2S — CID 100750257

IUPAC4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1snnc1-c1ccc(F)cc1
InChIInChI=1S/C21H14FN3O2S/c22-15-12-10-14(11-13-15)19-20(28-25-24-19)21(26)23-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-13H,(H,23,26)
InChIKeyJWWAKHQTPSRLLS-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.39
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide

4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 100750257) has the molecular formula C21H14FN3O2S and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide
PubChem CID100750257
Molecular FormulaC21H14FN3O2S
Molecular Weight391.43 g/mol
Exact Mass391.08
IUPAC Name4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1snnc1-c1ccc(F)cc1
InChIInChI=1S/C21H14FN3O2S/c22-15-12-10-14(11-13-15)19-20(28-25-24-19)21(26)23-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-13H,(H,23,26)
InChIKeyJWWAKHQTPSRLLS-UHFFFAOYSA-N
XLogP5.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100749567
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
N-(2-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745439
N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745447
methyl 2-[[4-(4-methylphenyl)thiadiazole-5-carbonyl]amino]benzoate
CID 100748907
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
CID 55386883
N-(2-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751885
6-fluoro-N-(2-phenoxyphenyl)-1H-indole-2-carboxamide
CID 113207503
N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767937

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide (CID 100750257) is 4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1snnc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is JWWAKHQTPSRLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2S/c22-15-12-10-14(11-13-15)19-20(28-25-24-19)21(26)23-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-13H,(H,23,26).
What are the key properties of 4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide?
4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100750257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).