N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

C12H12FN3OS — CID 71807178

IUPACN-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3OS/c1-8-15-12(18-16-8)11(17)14-7-6-9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyOCGJQINPOUNLSD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807178) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807178
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3OS/c1-8-15-12(18-16-8)11(17)14-7-6-9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyOCGJQINPOUNLSD-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

4-[(2-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 46991588
4-(4-fluorobenzyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 47000283
N-(2-chlorobenzyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807147
3-methyl-N-phenethyl-1,2,4-thiadiazole-5-carboxamide
CID 71807156
3-methyl-N-(4-sulfamoylphenethyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807157
3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807159
N-(2,6-difluorobenzyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807165
N-(4-chlorophenethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807168
N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
CID 71983386
(4-Benzylpiperidin-1-yl)(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 71807116
3-phenyl-N-(2-sulfanylethyl)-1,2,4-thiadiazole-5-carboxamide
CID 177680070
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(3-methylbutyl)propanamide
CID 3406711

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 71807178) is N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is OCGJQINPOUNLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-8-15-12(18-16-8)11(17)14-7-6-9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-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-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).