N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine

C10H15N3S — CID 71848178

IUPACN-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NC2CC=CC2)s1
InChIInChI=1S/C10H15N3S/c1-2-5-9-12-13-10(14-9)11-8-6-3-4-7-8/h3-4,8H,2,5-7H2,1H3,(H,11,13)
InChIKeyQPPGHISOAVUHDW-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.62
Rot. Bonds4

About N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine

N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 71848178) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine
PubChem CID71848178
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NC2CC=CC2)s1
InChIInChI=1S/C10H15N3S/c1-2-5-9-12-13-10(14-9)11-8-6-3-4-7-8/h3-4,8H,2,5-7H2,1H3,(H,11,13)
InChIKeyQPPGHISOAVUHDW-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.62
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-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine (CID 71848178) is N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine is CCCc1nnc(NC2CC=CC2)s1.
What is the InChIKey of N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QPPGHISOAVUHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-5-9-12-13-10(14-9)11-8-6-3-4-7-8/h3-4,8H,2,5-7H2,1H3,(H,11,13).
What are the key properties of N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine?
N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 209.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 71848178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).