3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine

C15H27N3S — CID 107185508

IUPAC3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1nnc(C2CCCC2(C)C)s1
InChIInChI=1S/C15H27N3S/c1-4-10-16-11-6-8-13-17-18-14(19-13)12-7-5-9-15(12,2)3/h12,16H,4-11H2,1-3H3
InChIKeyGKKOCOJKLYQMLJ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.76
Rot. Bonds7

About 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine

3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 107185508) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID107185508
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1nnc(C2CCCC2(C)C)s1
InChIInChI=1S/C15H27N3S/c1-4-10-16-11-6-8-13-17-18-14(19-13)12-7-5-9-15(12,2)3/h12,16H,4-11H2,1-3H3
InChIKeyGKKOCOJKLYQMLJ-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine 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

3-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185500
2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 107185607
2-(2-chloroethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
CID 107185456
N-[[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 107185554
1-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185646
3-[5-(2-methylthiolan-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 81451493
3-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 79211742
N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 106829297
2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
CID 107183813
N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
CID 107178474
N-methyl-3-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 114097253
N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107185134

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine (CID 107185508) is 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1nnc(C2CCCC2(C)C)s1.
What is the InChIKey of 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is GKKOCOJKLYQMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-10-16-11-6-8-13-17-18-14(19-13)12-7-5-9-15(12,2)3/h12,16H,4-11H2,1-3H3.
What are the key properties of 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 107185508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).