4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine

C15H26N4S — CID 62184364

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCC2CCCCC2C1
InChIInChI=1S/C15H26N4S/c1-2-8-16-15-14(17-18-20-15)11-19-9-7-12-5-3-4-6-13(12)10-19/h12-13,16H,2-11H2,1H3
InChIKeyGJYRMKAJDZRTPB-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.37
Rot. Bonds5

About 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine (PubChem CID 62184364) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine
PubChem CID62184364
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCC2CCCCC2C1
InChIInChI=1S/C15H26N4S/c1-2-8-16-15-14(17-18-20-15)11-19-9-7-12-5-3-4-6-13(12)10-19/h12-13,16H,2-11H2,1H3
InChIKeyGJYRMKAJDZRTPB-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine (CID 62184364) is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine is CCCNc1snnc1CN1CCC2CCCCC2C1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine?
The InChIKey is GJYRMKAJDZRTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-2-8-16-15-14(17-18-20-15)11-19-9-7-12-5-3-4-6-13(12)10-19/h12-13,16H,2-11H2,1H3.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine?
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine has a molecular weight of 294.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62184364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).