(2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide

C19H17N5OS — CID 51607018

IUPAC(2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide
SMILESCC[C@H](C(=O)Nc1nn2c(-c3ccccc3)nnc2s1)c1ccccc1
InChIInChI=1S/C19H17N5OS/c1-2-15(13-9-5-3-6-10-13)17(25)20-18-23-24-16(21-22-19(24)26-18)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,20,23,25)/t15-/m0/s1
InChIKeyFUFUVUFLRWUNNK-HNNXBMFYSA-N
MW363.45 g/mol
LogP3.99
Rot. Bonds5

About (2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide

(2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide (PubChem CID 51607018) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide
PubChem CID51607018
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name(2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide
SMILESCC[C@H](C(=O)Nc1nn2c(-c3ccccc3)nnc2s1)c1ccccc1
InChIInChI=1S/C19H17N5OS/c1-2-15(13-9-5-3-6-10-13)17(25)20-18-23-24-16(21-22-19(24)26-18)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,20,23,25)/t15-/m0/s1
InChIKeyFUFUVUFLRWUNNK-HNNXBMFYSA-N
XLogP3.99
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide?
The IUPAC name of (2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide (CID 51607018) is (2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide.
What is the SMILES notation for (2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide?
The canonical SMILES for (2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide is CC[C@H](C(=O)Nc1nn2c(-c3ccccc3)nnc2s1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide?
The InChIKey is FUFUVUFLRWUNNK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-2-15(13-9-5-3-6-10-13)17(25)20-18-23-24-16(21-22-19(24)26-18)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,20,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide?
(2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide has a molecular weight of 363.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide is sourced from PubChem (CID 51607018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).