N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C11H8FN5OS — CID 110384934

IUPACN-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nnc2sc(C(=O)Nc3cccc(F)c3)nn12
InChIInChI=1S/C11H8FN5OS/c1-6-14-15-11-17(6)16-10(19-11)9(18)13-8-4-2-3-7(12)5-8/h2-5H,1H3,(H,13,18)
InChIKeyDJGLCNOYIHFVEL-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.89
Rot. Bonds2

About N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384934) has the molecular formula C11H8FN5OS and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384934
Molecular FormulaC11H8FN5OS
Molecular Weight277.28 g/mol
Exact Mass277.04
IUPAC NameN-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nnc2sc(C(=O)Nc3cccc(F)c3)nn12
InChIInChI=1S/C11H8FN5OS/c1-6-14-15-11-17(6)16-10(19-11)9(18)13-8-4-2-3-7(12)5-8/h2-5H,1H3,(H,13,18)
InChIKeyDJGLCNOYIHFVEL-UHFFFAOYSA-N
XLogP1.89
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylamino)phenyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384925
N-(3-bromophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385115
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
3-fluoro-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
CID 3274065
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384949
N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577641
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
CID 953590
2-methoxy-3-methyl-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 3612421
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
N-(4-bromo-3-methylphenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385307
3-cyclopropyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385427

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384934) is N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is Cc1nnc2sc(C(=O)Nc3cccc(F)c3)nn12.
What is the InChIKey of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is DJGLCNOYIHFVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5OS/c1-6-14-15-11-17(6)16-10(19-11)9(18)13-8-4-2-3-7(12)5-8/h2-5H,1H3,(H,13,18).
What are the key properties of N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).