N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine

C11H19N3S — CID 65209064

IUPACN-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1snnc1C1CCCC1
InChIInChI=1S/C11H19N3S/c1-2-7-12-8-10-11(13-14-15-10)9-5-3-4-6-9/h9,12H,2-8H2,1H3
InChIKeyBQWHERLRMGRIPR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.70
Rot. Bonds5

About N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine

N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 65209064) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID65209064
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1snnc1C1CCCC1
InChIInChI=1S/C11H19N3S/c1-2-7-12-8-10-11(13-14-15-10)9-5-3-4-6-9/h9,12H,2-8H2,1H3
InChIKeyBQWHERLRMGRIPR-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156295
1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 105156329
4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156395
1-(4-tert-butylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105156399
4,4,4-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156400
4,4,4-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156401
4,4,4-trifluoro-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105156416
1-(4-tert-butylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156459
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156470
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105156519
5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174246
N-ethyl-5,5,5-trifluoro-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174282

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine (CID 65209064) is N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine is CCCNCc1snnc1C1CCCC1.
What is the InChIKey of N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is BQWHERLRMGRIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-7-12-8-10-11(13-14-15-10)9-5-3-4-6-9/h9,12H,2-8H2,1H3.
What are the key properties of N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 65209064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).