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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide
CID 90944908
N'-(4-cyclohexylphenyl)butane-1,4-diamine
CID 115200971
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
N'-phenylheptane-1,7-diamine
CID 61149618
[4-(4-aminobutylamino)phenyl]methanol
CID 83962271
N'-(4-propan-2-ylphenyl)hexane-1,6-diamine
CID 83952205
N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59230700
N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine
CID 59230134
N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
CID 83949113
N'-[4-(pyrrolidin-1-ylmethyl)phenyl]hexane-1,6-diamine
CID 83961000
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537
N'-(3,4-difluorophenyl)butane-1,4-diamine
CID 83953114

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).