[1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine

C12H14ClN3OS — CID 105324483

IUPAC[1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
SMILESNNC(COc1cccc(Cl)c1)Cc1nccs1
InChIInChI=1S/C12H14ClN3OS/c13-9-2-1-3-11(6-9)17-8-10(16-14)7-12-15-4-5-18-12/h1-6,10,16H,7-8,14H2
InChIKeyAYYFHQFCDBSXCA-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.25
Rot. Bonds6

About [1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine

[1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine (PubChem CID 105324483) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is [1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
PubChem CID105324483
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name[1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
SMILESNNC(COc1cccc(Cl)c1)Cc1nccs1
InChIInChI=1S/C12H14ClN3OS/c13-9-2-1-3-11(6-9)17-8-10(16-14)7-12-15-4-5-18-12/h1-6,10,16H,7-8,14H2
InChIKeyAYYFHQFCDBSXCA-UHFFFAOYSA-N
XLogP2.25
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.25
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

[1-(3-chlorophenoxy)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105284980
[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105289375
[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105317037
[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
CID 105309951
1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823913
[1-(5-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105280199
[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211647
1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105177967
[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103025590
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134206
[2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine
CID 105292048

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine (CID 105324483) is [1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine is NNC(COc1cccc(Cl)c1)Cc1nccs1.
What is the InChIKey of [1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine?
The InChIKey is AYYFHQFCDBSXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c13-9-2-1-3-11(6-9)17-8-10(16-14)7-12-15-4-5-18-12/h1-6,10,16H,7-8,14H2.
What are the key properties of [1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine?
[1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine has a molecular weight of 283.78 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105324483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).