1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine

C15H23N5O2S2 — CID 15961215

IUPAC1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine
SMILESNC1=NS(=O)N=C1NCCSCc1ccc(CN2CCCCC2)o1
InChIInChI=1S/C15H23N5O2S2/c16-14-15(19-24(21)18-14)17-6-9-23-11-13-5-4-12(22-13)10-20-7-2-1-3-8-20/h4-5H,1-3,6-11H2,(H2,16,18)(H,17,19)
InChIKeyMJQAXXDFXQOPMJ-UHFFFAOYSA-N
MW369.52 g/mol
LogP1.44
Rot. Bonds7

About 1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine

1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine (PubChem CID 15961215) has the molecular formula C15H23N5O2S2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine.

Molecular Properties

Compound Name1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine
PubChem CID15961215
Molecular FormulaC15H23N5O2S2
Molecular Weight369.52 g/mol
Exact Mass369.13
IUPAC Name1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine
SMILESNC1=NS(=O)N=C1NCCSCc1ccc(CN2CCCCC2)o1
InChIInChI=1S/C15H23N5O2S2/c16-14-15(19-24(21)18-14)17-6-9-23-11-13-5-4-12(22-13)10-20-7-2-1-3-8-20/h4-5H,1-3,6-11H2,(H2,16,18)(H,17,19)
InChIKeyMJQAXXDFXQOPMJ-UHFFFAOYSA-N
XLogP1.44
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine?
The IUPAC name of 1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine (CID 15961215) is 1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine.
What is the SMILES notation for 1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine?
The canonical SMILES for 1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine is NC1=NS(=O)N=C1NCCSCc1ccc(CN2CCCCC2)o1.
What is the InChIKey of 1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine?
The InChIKey is MJQAXXDFXQOPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S2/c16-14-15(19-24(21)18-14)17-6-9-23-11-13-5-4-12(22-13)10-20-7-2-1-3-8-20/h4-5H,1-3,6-11H2,(H2,16,18)(H,17,19).
What are the key properties of 1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine?
1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine has a molecular weight of 369.52 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3-N-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine is sourced from PubChem (CID 15961215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).