N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine

C12H19N3S — CID 106177679

IUPACN-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCC2=CCCC2)n1
InChIInChI=1S/C12H19N3S/c1-2-5-11-14-12(16-15-11)13-9-8-10-6-3-4-7-10/h6H,2-5,7-9H2,1H3,(H,13,14,15)
InChIKeyFQHZNBHJDQMUEH-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.40
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine

N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 106177679) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID106177679
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCC2=CCCC2)n1
InChIInChI=1S/C12H19N3S/c1-2-5-11-14-12(16-15-11)13-9-8-10-6-3-4-7-10/h6H,2-5,7-9H2,1H3,(H,13,14,15)
InChIKeyFQHZNBHJDQMUEH-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 106177679) is N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCCC2=CCCC2)n1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FQHZNBHJDQMUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-5-11-14-12(16-15-11)13-9-8-10-6-3-4-7-10/h6H,2-5,7-9H2,1H3,(H,13,14,15).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 237.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106177679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).