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

C11H10FN3OS — CID 7293423

IUPACN-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H10FN3OS/c1-7-10(17-15-14-7)11(16)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,16)
InChIKeyQYRBSJVCPNHXLA-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.92
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 7293423) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID7293423
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H10FN3OS/c1-7-10(17-15-14-7)11(16)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,16)
InChIKeyQYRBSJVCPNHXLA-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide (CID 7293423) is N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is QYRBSJVCPNHXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-7-10(17-15-14-7)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]-4-methylthiadiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-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]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7293423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).