2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C17H19FN6OS2 — CID 6500945

IUPAC2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)Sc2nnc(-c3ccccc3F)n2C(C)C)s1
InChIInChI=1S/C17H19FN6OS2/c1-9(2)24-14(12-7-5-6-8-13(12)18)21-23-17(24)26-10(3)15(25)19-16-22-20-11(4)27-16/h5-10H,1-4H3,(H,19,22,25)
InChIKeyGFCVBFFPRCOORR-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.94
Rot. Bonds6

About 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 6500945) has the molecular formula C17H19FN6OS2 and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID6500945
Molecular FormulaC17H19FN6OS2
Molecular Weight406.51 g/mol
Exact Mass406.10
IUPAC Name2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)Sc2nnc(-c3ccccc3F)n2C(C)C)s1
InChIInChI=1S/C17H19FN6OS2/c1-9(2)24-14(12-7-5-6-8-13(12)18)21-23-17(24)26-10(3)15(25)19-16-22-20-11(4)27-16/h5-10H,1-4H3,(H,19,22,25)
InChIKeyGFCVBFFPRCOORR-UHFFFAOYSA-N
XLogP3.94
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7447421
(2R)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 7427114
(2S)-2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7339553
(2R)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide
CID 9452340
(2R)-2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 7636657
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7339494
N-(2-acetylphenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51234684
(2R)-2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2232086
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 6500928
(2R)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7339535
N'-[(2R)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]benzohydrazide
CID 8950847
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 78589501

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 6500945) is 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)C(C)Sc2nnc(-c3ccccc3F)n2C(C)C)s1.
What is the InChIKey of 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is GFCVBFFPRCOORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6OS2/c1-9(2)24-14(12-7-5-6-8-13(12)18)21-23-17(24)26-10(3)15(25)19-16-22-20-11(4)27-16/h5-10H,1-4H3,(H,19,22,25).
What are the key properties of 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 406.51 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 6500945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).