N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine

C8H9F2N3S — CID 130163462

IUPACN-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)c1nnc(NC2CC=CC2)s1
InChIInChI=1S/C8H9F2N3S/c9-6(10)7-12-13-8(14-7)11-5-3-1-2-4-5/h1-2,5-6H,3-4H2,(H,11,13)
InChIKeyOAJVDKXXJWXPCR-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.61
Rot. Bonds3

About N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine

N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 130163462) has the molecular formula C8H9F2N3S and a molecular weight of 217.24 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID130163462
Molecular FormulaC8H9F2N3S
Molecular Weight217.24 g/mol
Exact Mass217.05
IUPAC NameN-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)c1nnc(NC2CC=CC2)s1
InChIInChI=1S/C8H9F2N3S/c9-6(10)7-12-13-8(14-7)11-5-3-1-2-4-5/h1-2,5-6H,3-4H2,(H,11,13)
InChIKeyOAJVDKXXJWXPCR-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.61
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-(difluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine (CID 130163462) is N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)c1nnc(NC2CC=CC2)s1.
What is the InChIKey of N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OAJVDKXXJWXPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3S/c9-6(10)7-12-13-8(14-7)11-5-3-1-2-4-5/h1-2,5-6H,3-4H2,(H,11,13).
What are the key properties of N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine?
N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 217.24 g/mol, XLogP of 2.61, 3 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-(difluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130163462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).