N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine

C13H20N4S — CID 91567190

IUPACN'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine
SMILESNCCCCCNc1ccc(C2CSN=N2)cc1
InChIInChI=1S/C13H20N4S/c14-8-2-1-3-9-15-12-6-4-11(5-7-12)13-10-18-17-16-13/h4-7,13,15H,1-3,8-10,14H2
InChIKeySTMBDDNODXPRBR-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.38
Rot. Bonds7

About N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine

N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine (PubChem CID 91567190) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine
PubChem CID91567190
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine
SMILESNCCCCCNc1ccc(C2CSN=N2)cc1
InChIInChI=1S/C13H20N4S/c14-8-2-1-3-9-15-12-6-4-11(5-7-12)13-10-18-17-16-13/h4-7,13,15H,1-3,8-10,14H2
InChIKeySTMBDDNODXPRBR-UHFFFAOYSA-N
XLogP3.38
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine?
The IUPAC name of N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine (CID 91567190) is N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine.
What is the SMILES notation for N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine?
The canonical SMILES for N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine is NCCCCCNc1ccc(C2CSN=N2)cc1.
What is the InChIKey of N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine?
The InChIKey is STMBDDNODXPRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c14-8-2-1-3-9-15-12-6-4-11(5-7-12)13-10-18-17-16-13/h4-7,13,15H,1-3,8-10,14H2.
What are the key properties of N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine?
N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine has a molecular weight of 264.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine is sourced from PubChem (CID 91567190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).