[(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine

C15H17N5S — CID 105327517

IUPAC[(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine
SMILESCCCc1nnsc1C(NN)c1ccc2cccnc2c1
InChIInChI=1S/C15H17N5S/c1-2-4-12-15(21-20-19-12)14(18-16)11-7-6-10-5-3-8-17-13(10)9-11/h3,5-9,14,18H,2,4,16H2,1H3
InChIKeyABAMXSLMCVLAIY-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.59
Rot. Bonds5

About [(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine

[(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine (PubChem CID 105327517) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is [(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine
PubChem CID105327517
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name[(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine
SMILESCCCc1nnsc1C(NN)c1ccc2cccnc2c1
InChIInChI=1S/C15H17N5S/c1-2-4-12-15(21-20-19-12)14(18-16)11-7-6-10-5-3-8-17-13(10)9-11/h3,5-9,14,18H,2,4,16H2,1H3
InChIKeyABAMXSLMCVLAIY-UHFFFAOYSA-N
XLogP2.59
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of [(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine?
The IUPAC name of [(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine (CID 105327517) is [(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine.
What is the SMILES notation for [(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine?
The canonical SMILES for [(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine is CCCc1nnsc1C(NN)c1ccc2cccnc2c1.
What is the InChIKey of [(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine?
The InChIKey is ABAMXSLMCVLAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-2-4-12-15(21-20-19-12)14(18-16)11-7-6-10-5-3-8-17-13(10)9-11/h3,5-9,14,18H,2,4,16H2,1H3.
What are the key properties of [(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine?
[(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine has a molecular weight of 299.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine is sourced from PubChem (CID 105327517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).