[(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine

C13H17ClN4S — CID 105287472

IUPAC[(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(NN)c1ccccc1Cl
InChIInChI=1S/C13H17ClN4S/c1-13(2,3)12-11(19-18-17-12)10(16-15)8-6-4-5-7-9(8)14/h4-7,10,16H,15H2,1-3H3
InChIKeyWSOQNVODYYCVJM-UHFFFAOYSA-N
MW296.83 g/mol
LogP3.04
Rot. Bonds3

About [(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine

[(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine (PubChem CID 105287472) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is [(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine
PubChem CID105287472
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC Name[(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(NN)c1ccccc1Cl
InChIInChI=1S/C13H17ClN4S/c1-13(2,3)12-11(19-18-17-12)10(16-15)8-6-4-5-7-9(8)14/h4-7,10,16H,15H2,1-3H3
InChIKeyWSOQNVODYYCVJM-UHFFFAOYSA-N
XLogP3.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 53.04
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

[(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105287302
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320871
1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine
CID 105096256
[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105305034
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296898
[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105302694
[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295283
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888
(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine
CID 105144930
[(2-chlorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251671
[1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105295607

Frequently Asked Questions

What is the IUPAC name of [(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine?
The IUPAC name of [(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine (CID 105287472) is [(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine is CC(C)(C)c1nnsc1C(NN)c1ccccc1Cl.
What is the InChIKey of [(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine?
The InChIKey is WSOQNVODYYCVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-13(2,3)12-11(19-18-17-12)10(16-15)8-6-4-5-7-9(8)14/h4-7,10,16H,15H2,1-3H3.
What are the key properties of [(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine?
[(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine has a molecular weight of 296.83 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine is sourced from PubChem (CID 105287472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).