N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide

C13H14FN3O2S — CID 73168367

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide
SMILESCOC(CNC(=O)c1snnc1C)c1cccc(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-8-12(20-17-16-8)13(18)15-7-11(19-2)9-4-3-5-10(14)6-9/h3-6,11H,7H2,1-2H3,(H,15,18)
InChIKeyMMGHSAWHTQHSDX-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.10
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 73168367) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID73168367
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide
SMILESCOC(CNC(=O)c1snnc1C)c1cccc(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-8-12(20-17-16-8)13(18)15-7-11(19-2)9-4-3-5-10(14)6-9/h3-6,11H,7H2,1-2H3,(H,15,18)
InChIKeyMMGHSAWHTQHSDX-UHFFFAOYSA-N
XLogP2.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide (CID 73168367) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide is COC(CNC(=O)c1snnc1C)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is MMGHSAWHTQHSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8-12(20-17-16-8)13(18)15-7-11(19-2)9-4-3-5-10(14)6-9/h3-6,11H,7H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 73168367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).