N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide

C17H17N5OS2 — CID 171344598

IUPACN-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccc(SCc2ccccc2)nn1
InChIInChI=1S/C17H17N5OS2/c1-2-6-13-16(25-22-19-13)17(23)18-14-9-10-15(21-20-14)24-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,18,20,23)
InChIKeyCUADXZDLLBXWAA-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.83
Rot. Bonds7

About N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide

N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide (PubChem CID 171344598) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide
PubChem CID171344598
Molecular FormulaC17H17N5OS2
Molecular Weight371.49 g/mol
Exact Mass371.09
IUPAC NameN-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccc(SCc2ccccc2)nn1
InChIInChI=1S/C17H17N5OS2/c1-2-6-13-16(25-22-19-13)17(23)18-14-9-10-15(21-20-14)24-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,18,20,23)
InChIKeyCUADXZDLLBXWAA-UHFFFAOYSA-N
XLogP3.83
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide (CID 171344598) is N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1ccc(SCc2ccccc2)nn1.
What is the InChIKey of N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is CUADXZDLLBXWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS2/c1-2-6-13-16(25-22-19-13)17(23)18-14-9-10-15(21-20-14)24-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,18,20,23).
What are the key properties of N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide?
N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 171344598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).