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

C8H13F3N4S — CID 59230097

IUPACN'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
SMILESNCCCCCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H13F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5-3-1-2-4-12/h1-5,12H2,(H,13,15)
InChIKeyGBLAFGUWEYPWDX-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.10
Rot. Bonds6

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

N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine (PubChem CID 59230097) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
PubChem CID59230097
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC NameN'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
SMILESNCCCCCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H13F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5-3-1-2-4-12/h1-5,12H2,(H,13,15)
InChIKeyGBLAFGUWEYPWDX-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]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

Frequently Asked Questions

What is the IUPAC name of N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine?
The IUPAC name of N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine (CID 59230097) is N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine.
What is the SMILES notation for N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine?
The canonical SMILES for N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine is NCCCCCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine?
The InChIKey is GBLAFGUWEYPWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5-3-1-2-4-12/h1-5,12H2,(H,13,15).
What are the key properties of N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine?
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine has a molecular weight of 254.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine is sourced from PubChem (CID 59230097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).