2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide

C13H10F3N3O2S — CID 2744081

IUPAC2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C13H10F3N3O2S/c1-7-17-10(6-22-7)12(21)19-18-11(20)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H,18,20)(H,19,21)
InChIKeyARUQEWOHEIUHCP-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.55
Rot. Bonds2

About 2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide

2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 2744081) has the molecular formula C13H10F3N3O2S and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide
PubChem CID2744081
Molecular FormulaC13H10F3N3O2S
Molecular Weight329.30 g/mol
Exact Mass329.04
IUPAC Name2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C13H10F3N3O2S/c1-7-17-10(6-22-7)12(21)19-18-11(20)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H,18,20)(H,19,21)
InChIKeyARUQEWOHEIUHCP-UHFFFAOYSA-N
XLogP2.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide (CID 2744081) is 2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide is Cc1nc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of 2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is ARUQEWOHEIUHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2S/c1-7-17-10(6-22-7)12(21)19-18-11(20)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide?
2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 329.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2744081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).