4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide

C12H10F3N3OS — CID 2744514

IUPAC4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NN
InChIInChI=1S/C12H10F3N3OS/c1-6-9(10(19)18-16)20-11(17-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,16H2,1H3,(H,18,19)
InChIKeyGTNNCFHYKFAPEM-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.74
Rot. Bonds2

About 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide

4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 2744514) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
PubChem CID2744514
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NN
InChIInChI=1S/C12H10F3N3OS/c1-6-9(10(19)18-16)20-11(17-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,16H2,1H3,(H,18,19)
InChIKeyGTNNCFHYKFAPEM-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide (CID 2744514) is 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NN.
What is the InChIKey of 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is GTNNCFHYKFAPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-6-9(10(19)18-16)20-11(17-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,16H2,1H3,(H,18,19).
What are the key properties of 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide?
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 301.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 2744514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).