N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine

C11H19N3S — CID 65204956

IUPACN-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine
SMILESCCCc1nnsc1CNC1CCCC1
InChIInChI=1S/C11H19N3S/c1-2-5-10-11(15-14-13-10)8-12-9-6-3-4-7-9/h9,12H,2-8H2,1H3
InChIKeyBSHZPMSKBVPMIM-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.52
Rot. Bonds5

About N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine

N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine (PubChem CID 65204956) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine
PubChem CID65204956
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine
SMILESCCCc1nnsc1CNC1CCCC1
InChIInChI=1S/C11H19N3S/c1-2-5-10-11(15-14-13-10)8-12-9-6-3-4-7-9/h9,12H,2-8H2,1H3
InChIKeyBSHZPMSKBVPMIM-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine (CID 65204956) is N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine is CCCc1nnsc1CNC1CCCC1.
What is the InChIKey of N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine?
The InChIKey is BSHZPMSKBVPMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-5-10-11(15-14-13-10)8-12-9-6-3-4-7-9/h9,12H,2-8H2,1H3.
What are the key properties of N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine?
N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine has a molecular weight of 225.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 65204956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).