4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole

C15H24N4S2 — CID 4293234

IUPAC4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole
SMILESCCCc1nnsc1C(C)CC(C)c1snnc1CCC
InChIInChI=1S/C15H24N4S2/c1-5-7-12-14(20-18-16-12)10(3)9-11(4)15-13(8-6-2)17-19-21-15/h10-11H,5-9H2,1-4H3
InChIKeyFJXDERDMHGGCNK-UHFFFAOYSA-N
MW324.52 g/mol
LogP4.59
Rot. Bonds8

About 4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole

4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole (PubChem CID 4293234) has the molecular formula C15H24N4S2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole.

Molecular Properties

Compound Name4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole
PubChem CID4293234
Molecular FormulaC15H24N4S2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole
SMILESCCCc1nnsc1C(C)CC(C)c1snnc1CCC
InChIInChI=1S/C15H24N4S2/c1-5-7-12-14(20-18-16-12)10(3)9-11(4)15-13(8-6-2)17-19-21-15/h10-11H,5-9H2,1-4H3
InChIKeyFJXDERDMHGGCNK-UHFFFAOYSA-N
XLogP4.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole?
The IUPAC name of 4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole (CID 4293234) is 4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole.
What is the SMILES notation for 4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole?
The canonical SMILES for 4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole is CCCc1nnsc1C(C)CC(C)c1snnc1CCC.
What is the InChIKey of 4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole?
The InChIKey is FJXDERDMHGGCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2/c1-5-7-12-14(20-18-16-12)10(3)9-11(4)15-13(8-6-2)17-19-21-15/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole?
4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole has a molecular weight of 324.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole is sourced from PubChem (CID 4293234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).