5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide

C22H20N6O2S — CID 6737187

IUPAC5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NNC(=O)Cc1nc(-c2ccccc2)sc1C
InChIInChI=1S/C22H20N6O2S/c1-14-20(27-28(26-14)17-11-7-4-8-12-17)21(30)25-24-19(29)13-18-15(2)31-22(23-18)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyJYYDOQPTBLHWDU-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.01
Rot. Bonds5

About 5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide

5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide (PubChem CID 6737187) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is 5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide
PubChem CID6737187
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC Name5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NNC(=O)Cc1nc(-c2ccccc2)sc1C
InChIInChI=1S/C22H20N6O2S/c1-14-20(27-28(26-14)17-11-7-4-8-12-17)21(30)25-24-19(29)13-18-15(2)31-22(23-18)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyJYYDOQPTBLHWDU-UHFFFAOYSA-N
XLogP3.01
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide?
The IUPAC name of 5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide (CID 6737187) is 5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide is Cc1nn(-c2ccccc2)nc1C(=O)NNC(=O)Cc1nc(-c2ccccc2)sc1C.
What is the InChIKey of 5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide?
The InChIKey is JYYDOQPTBLHWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S/c1-14-20(27-28(26-14)17-11-7-4-8-12-17)21(30)25-24-19(29)13-18-15(2)31-22(23-18)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of 5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide?
5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide has a molecular weight of 432.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetyl]-2-phenyltriazole-4-carbohydrazide is sourced from PubChem (CID 6737187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).