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

C12H12FN3OS — CID 9182267

IUPACN-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H12FN3OS/c1-8-11(18-16-15-8)12(17)14-6-5-9-3-2-4-10(13)7-9/h2-4,7H,5-6H2,1H3,(H,14,17)
InChIKeyZDWDSCKGQUDPCO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.96
Rot. Bonds4

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

N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 9182267) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID9182267
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H12FN3OS/c1-8-11(18-16-15-8)12(17)14-6-5-9-3-2-4-10(13)7-9/h2-4,7H,5-6H2,1H3,(H,14,17)
InChIKeyZDWDSCKGQUDPCO-UHFFFAOYSA-N
XLogP1.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 51585981
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
N-[2-(3-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39947640
4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride
CID 65199256
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiadiazole-5-carboxamide
CID 90537705

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide (CID 9182267) is N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is ZDWDSCKGQUDPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-8-11(18-16-15-8)12(17)14-6-5-9-3-2-4-10(13)7-9/h2-4,7H,5-6H2,1H3,(H,14,17).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 9182267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).