[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine

C14H19ClN4OS — CID 105320871

IUPAC[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cc(C(NN)c2snnc2C(C)(C)C)ccc1Cl
InChIInChI=1S/C14H19ClN4OS/c1-14(2,3)13-12(21-19-18-13)11(17-16)8-5-6-9(15)10(7-8)20-4/h5-7,11,17H,16H2,1-4H3
InChIKeyHGXJGYSWCWBEIW-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.05
Rot. Bonds4

About [(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine

[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine (PubChem CID 105320871) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is [(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
PubChem CID105320871
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cc(C(NN)c2snnc2C(C)(C)C)ccc1Cl
InChIInChI=1S/C14H19ClN4OS/c1-14(2,3)13-12(21-19-18-13)11(17-16)8-5-6-9(15)10(7-8)20-4/h5-7,11,17H,16H2,1-4H3
InChIKeyHGXJGYSWCWBEIW-UHFFFAOYSA-N
XLogP3.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.05
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

[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105305034
[(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
CID 103375610
[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105302694
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethoxyphenyl)methanamine
CID 105141183
[(4-chloro-3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105199196
[(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine
CID 105287472
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888
[(4-chloro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258314
[(3,4-dichlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105281260
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481
[(4-chloro-3-methoxyphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]hydrazine
CID 105256368
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656

Frequently Asked Questions

What is the IUPAC name of [(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine (CID 105320871) is [(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine is COc1cc(C(NN)c2snnc2C(C)(C)C)ccc1Cl.
What is the InChIKey of [(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine?
The InChIKey is HGXJGYSWCWBEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c1-14(2,3)13-12(21-19-18-13)11(17-16)8-5-6-9(15)10(7-8)20-4/h5-7,11,17H,16H2,1-4H3.
What are the key properties of [(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine?
[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine has a molecular weight of 326.85 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105320871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).