N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine

C7H14N4S — CID 107323563

IUPACN'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine
SMILESNCCCCCNc1nncs1
InChIInChI=1S/C7H14N4S/c8-4-2-1-3-5-9-7-11-10-6-12-7/h6H,1-5,8H2,(H,9,11)
InChIKeyNOSAKTUXTNMDPY-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.08
Rot. Bonds6

About N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine

N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine (PubChem CID 107323563) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine
PubChem CID107323563
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC NameN'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine
SMILESNCCCCCNc1nncs1
InChIInChI=1S/C7H14N4S/c8-4-2-1-3-5-9-7-11-10-6-12-7/h6H,1-5,8H2,(H,9,11)
InChIKeyNOSAKTUXTNMDPY-UHFFFAOYSA-N
XLogP1.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine?
The IUPAC name of N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine (CID 107323563) is N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine?
The canonical SMILES for N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine is NCCCCCNc1nncs1.
What is the InChIKey of N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine?
The InChIKey is NOSAKTUXTNMDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c8-4-2-1-3-5-9-7-11-10-6-12-7/h6H,1-5,8H2,(H,9,11).
What are the key properties of N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine?
N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine has a molecular weight of 186.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3,4-thiadiazol-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 107323563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).