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

C14H16FN3O2S — CID 90599073

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide
SMILESCOC(C)(CNC(=O)c1snnc1C)c1ccccc1F
InChIInChI=1S/C14H16FN3O2S/c1-9-12(21-18-17-9)13(19)16-8-14(2,20-3)10-6-4-5-7-11(10)15/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyAUKPMGGJTALZGA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.28
Rot. Bonds5

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

N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 90599073) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide
PubChem CID90599073
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide
SMILESCOC(C)(CNC(=O)c1snnc1C)c1ccccc1F
InChIInChI=1S/C14H16FN3O2S/c1-9-12(21-18-17-9)13(19)16-8-14(2,20-3)10-6-4-5-7-11(10)15/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyAUKPMGGJTALZGA-UHFFFAOYSA-N
XLogP2.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide (CID 90599073) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide is COC(C)(CNC(=O)c1snnc1C)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is AUKPMGGJTALZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-9-12(21-18-17-9)13(19)16-8-14(2,20-3)10-6-4-5-7-11(10)15/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 90599073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).