[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C12H14ClN3OS — CID 79765304

IUPAC[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCCc1cc(OCc2cnc(NN)s2)ccc1Cl
InChIInChI=1S/C12H14ClN3OS/c1-2-8-5-9(3-4-11(8)13)17-7-10-6-15-12(16-14)18-10/h3-6H,2,7,14H2,1H3,(H,15,16)
InChIKeySQFLBZPBWZZLQD-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.22
Rot. Bonds5

About [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765304) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79765304
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCCc1cc(OCc2cnc(NN)s2)ccc1Cl
InChIInChI=1S/C12H14ClN3OS/c1-2-8-5-9(3-4-11(8)13)17-7-10-6-15-12(16-14)18-10/h3-6H,2,7,14H2,1H3,(H,15,16)
InChIKeySQFLBZPBWZZLQD-UHFFFAOYSA-N
XLogP3.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.22
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

[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613611
5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774030
[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764788
[5-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764026
[5-[(4-iodophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79763915
[5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765706
[5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764786
[5-(ethoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765698
5-[(3-chloro-4-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79775260
[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 107668167
[5-[(3-chloro-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 116689926
3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide
CID 63576593

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79765304) is [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is CCc1cc(OCc2cnc(NN)s2)ccc1Cl.
What is the InChIKey of [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is SQFLBZPBWZZLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-2-8-5-9(3-4-11(8)13)17-7-10-6-15-12(16-14)18-10/h3-6H,2,7,14H2,1H3,(H,15,16).
What are the key properties of [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 283.78 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79765304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).