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

C11H13ClN4OS — CID 80613611

IUPAC[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCCc1cc(OCc2nnc(NN)s2)ccc1Cl
InChIInChI=1S/C11H13ClN4OS/c1-2-7-5-8(3-4-9(7)12)17-6-10-15-16-11(14-13)18-10/h3-5H,2,6,13H2,1H3,(H,14,16)
InChIKeyIHXHKCWUDDGROT-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.62
Rot. Bonds5

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

[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80613611) has the molecular formula C11H13ClN4OS and a molecular weight of 284.77 g/mol. Its IUPAC name is [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80613611
Molecular FormulaC11H13ClN4OS
Molecular Weight284.77 g/mol
Exact Mass284.05
IUPAC Name[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCCc1cc(OCc2nnc(NN)s2)ccc1Cl
InChIInChI=1S/C11H13ClN4OS/c1-2-7-5-8(3-4-9(7)12)17-6-10-15-16-11(14-13)18-10/h3-5H,2,6,13H2,1H3,(H,14,16)
InChIKeyIHXHKCWUDDGROT-UHFFFAOYSA-N
XLogP2.62
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-thiazol-2-yl]hydrazine
CID 79765304
[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614512
[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613704
[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613610
5-[(4-chloro-3-fluorophenoxy)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82716920
[5-[(4-methoxy-3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 103202266
[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614010
[5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80621135
[5-[(4-methoxy-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613395
5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 63486730
[5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80601996
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylbutanamide
CID 4068894

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80613611) is [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is CCc1cc(OCc2nnc(NN)s2)ccc1Cl.
What is the InChIKey of [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is IHXHKCWUDDGROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4OS/c1-2-7-5-8(3-4-9(7)12)17-6-10-15-16-11(14-13)18-10/h3-5H,2,6,13H2,1H3,(H,14,16).
What are the key properties of [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 284.77 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloro-3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80613611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).