[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine

C13H16F2N4S — CID 105305034

IUPAC[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N4S/c1-13(2,3)12-11(20-19-18-12)10(17-16)7-4-5-8(14)9(15)6-7/h4-6,10,17H,16H2,1-3H3
InChIKeyQDVGKTDHZWTDKF-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.67
Rot. Bonds3

About [(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine

[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine (PubChem CID 105305034) has the molecular formula C13H16F2N4S and a molecular weight of 298.36 g/mol. Its IUPAC name is [(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
PubChem CID105305034
Molecular FormulaC13H16F2N4S
Molecular Weight298.36 g/mol
Exact Mass298.11
IUPAC Name[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N4S/c1-13(2,3)12-11(20-19-18-12)10(17-16)7-4-5-8(14)9(15)6-7/h4-6,10,17H,16H2,1-3H3
InChIKeyQDVGKTDHZWTDKF-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.67
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'}

Analyze [(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105302694
1-(4-tert-butylthiadiazol-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130322
[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320871
N-[(4-tert-butylthiadiazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130488
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888
[(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine
CID 105287472
1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105175903
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluorophenyl)methyl]propan-1-amine
CID 105088130
[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342938
[(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208117
[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105193316

Frequently Asked Questions

What is the IUPAC name of [(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine (CID 105305034) is [(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine is CC(C)(C)c1nnsc1C(NN)c1ccc(F)c(F)c1.
What is the InChIKey of [(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine?
The InChIKey is QDVGKTDHZWTDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4S/c1-13(2,3)12-11(20-19-18-12)10(17-16)7-4-5-8(14)9(15)6-7/h4-6,10,17H,16H2,1-3H3.
What are the key properties of [(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine?
[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine has a molecular weight of 298.36 g/mol, XLogP of 2.67, 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)-(3,4-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105305034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).