N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide

C11H10FN3OS — CID 35763898

IUPACN-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide
SMILESCc1snnc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H10FN3OS/c1-7-10(14-15-17-7)11(16)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,16)
InChIKeyGGYUWIFHIOLLSS-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.92
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide (PubChem CID 35763898) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide
PubChem CID35763898
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC NameN-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide
SMILESCc1snnc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H10FN3OS/c1-7-10(14-15-17-7)11(16)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,16)
InChIKeyGGYUWIFHIOLLSS-UHFFFAOYSA-N
XLogP1.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide
CID 50819220
methyl 4-amino-3-[(4-fluorophenyl)methylcarbamoyl]-1,2-thiazole-5-carboxylate
CID 50743406
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-[[4-(chloromethyl)phenyl]methyl]-4-propylthiadiazole-5-carboxamide
CID 107233259
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353728
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
1-(4-bromophenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858215
N-[(4-fluorophenyl)methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175442
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide (CID 35763898) is N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide is Cc1snnc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide?
The InChIKey is GGYUWIFHIOLLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-7-10(14-15-17-7)11(16)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 35763898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).