[5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C10H9ClFN3OS — CID 116689926

IUPAC[5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2cccc(Cl)c2F)s1
InChIInChI=1S/C10H9ClFN3OS/c11-7-2-1-3-8(9(7)12)16-5-6-4-14-10(15-13)17-6/h1-4H,5,13H2,(H,14,15)
InChIKeyBJKFOSAKMTVNTD-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.80
Rot. Bonds4

About [5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 116689926) has the molecular formula C10H9ClFN3OS and a molecular weight of 273.72 g/mol. Its IUPAC name is [5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID116689926
Molecular FormulaC10H9ClFN3OS
Molecular Weight273.72 g/mol
Exact Mass273.01
IUPAC Name[5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2cccc(Cl)c2F)s1
InChIInChI=1S/C10H9ClFN3OS/c11-7-2-1-3-8(9(7)12)16-5-6-4-14-10(15-13)17-6/h1-4H,5,13H2,(H,14,15)
InChIKeyBJKFOSAKMTVNTD-UHFFFAOYSA-N
XLogP2.80
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 145420134
4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155553849
2-Chloro-5-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole
CID 1490830
5-[Difluoro(phenoxy)methyl]-1,3-thiazol-2-amine
CID 88664597
2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 17190938
[5-[(2-Chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79763908
[5-[[2-(Trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine
CID 79763910
[5-[[4-(Trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine
CID 79763914
[5-[(2,4-Difluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764027
[5-[(2,5-Difluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764039
[5-[(2-Fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764157
[5-[(3,4-Difluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764161

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 116689926) is [5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COc2cccc(Cl)c2F)s1.
What is the InChIKey of [5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is BJKFOSAKMTVNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3OS/c11-7-2-1-3-8(9(7)12)16-5-6-4-14-10(15-13)17-6/h1-4H,5,13H2,(H,14,15).
What are the key properties of [5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 273.72 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 116689926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).