N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide

C21H15FN4OS — CID 86942045

IUPACN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C21H15FN4OS/c1-13-17(11-12-18(23-13)14-5-3-2-4-6-14)20(27)25-21-24-19(26-28-21)15-7-9-16(22)10-8-15/h2-12H,1H3,(H,24,25,26,27)
InChIKeyHGGCZLINEPEXAA-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.97
Rot. Bonds4

About N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide

N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide (PubChem CID 86942045) has the molecular formula C21H15FN4OS and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
PubChem CID86942045
Molecular FormulaC21H15FN4OS
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C21H15FN4OS/c1-13-17(11-12-18(23-13)14-5-3-2-4-6-14)20(27)25-21-24-19(26-28-21)15-7-9-16(22)10-8-15/h2-12H,1H3,(H,24,25,26,27)
InChIKeyHGGCZLINEPEXAA-UHFFFAOYSA-N
XLogP4.97
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 56503511
4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86941977
N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 27895592
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 86941996
6-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 171132589
3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 146076485
4-fluoro-N-[1-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 86942069
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 27873719
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide
CID 99718268

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide (CID 86942045) is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(-c2ccc(F)cc2)ns1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide?
The InChIKey is HGGCZLINEPEXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4OS/c1-13-17(11-12-18(23-13)14-5-3-2-4-6-14)20(27)25-21-24-19(26-28-21)15-7-9-16(22)10-8-15/h2-12H,1H3,(H,24,25,26,27).
What are the key properties of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide?
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 86942045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).