2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide

C13H14FN3O2S — CID 66964821

IUPAC2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide
SMILESCC(C)(O)c1ccc(-c2nc(C(=O)NN)cs2)c(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-13(2,19)7-3-4-8(9(14)5-7)12-16-10(6-20-12)11(18)17-15/h3-6,19H,15H2,1-2H3,(H,17,18)
InChIKeyQDEZUVQKIWEFHI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.78
Rot. Bonds3

About 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide

2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 66964821) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide
PubChem CID66964821
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide
SMILESCC(C)(O)c1ccc(-c2nc(C(=O)NN)cs2)c(F)c1
InChIInChI=1S/C13H14FN3O2S/c1-13(2,19)7-3-4-8(9(14)5-7)12-16-10(6-20-12)11(18)17-15/h3-6,19H,15H2,1-2H3,(H,17,18)
InChIKeyQDEZUVQKIWEFHI-UHFFFAOYSA-N
XLogP1.78
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide (CID 66964821) is 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide is CC(C)(O)c1ccc(-c2nc(C(=O)NN)cs2)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is QDEZUVQKIWEFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-13(2,19)7-3-4-8(9(14)5-7)12-16-10(6-20-12)11(18)17-15/h3-6,19H,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide?
2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 295.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 66964821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).