2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide

C7H8F3N3OS — CID 66751984

IUPAC2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide
SMILESCC(C(=O)NN)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H8F3N3OS/c1-3(5(14)13-11)6-12-4(2-15-6)7(8,9)10/h2-3H,11H2,1H3,(H,13,14)
InChIKeyYUJHJJJJXFTURX-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.26
Rot. Bonds2

About 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide

2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide (PubChem CID 66751984) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide
PubChem CID66751984
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide
SMILESCC(C(=O)NN)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H8F3N3OS/c1-3(5(14)13-11)6-12-4(2-15-6)7(8,9)10/h2-3H,11H2,1H3,(H,13,14)
InChIKeyYUJHJJJJXFTURX-UHFFFAOYSA-N
XLogP1.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.26
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 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide?
The IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide (CID 66751984) is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide?
The canonical SMILES for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide is CC(C(=O)NN)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide?
The InChIKey is YUJHJJJJXFTURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c1-3(5(14)13-11)6-12-4(2-15-6)7(8,9)10/h2-3H,11H2,1H3,(H,13,14).
What are the key properties of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide?
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide has a molecular weight of 239.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanehydrazide is sourced from PubChem (CID 66751984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).