5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine

C7H9F2N3S — CID 130563500

IUPAC5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CNc1nnc(C(F)F)s1
InChIInChI=1S/C7H9F2N3S/c1-4(2)3-10-7-12-11-6(13-7)5(8)9/h5H,1,3H2,2H3,(H,10,12)
InChIKeyAQTWMYGGWUCIPK-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.46
Rot. Bonds4

About 5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine

5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine (PubChem CID 130563500) has the molecular formula C7H9F2N3S and a molecular weight of 205.23 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
PubChem CID130563500
Molecular FormulaC7H9F2N3S
Molecular Weight205.23 g/mol
Exact Mass205.05
IUPAC Name5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CNc1nnc(C(F)F)s1
InChIInChI=1S/C7H9F2N3S/c1-4(2)3-10-7-12-11-6(13-7)5(8)9/h5H,1,3H2,2H3,(H,10,12)
InChIKeyAQTWMYGGWUCIPK-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.46
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 5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine (CID 130563500) is 5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine is C=C(C)CNc1nnc(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AQTWMYGGWUCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3S/c1-4(2)3-10-7-12-11-6(13-7)5(8)9/h5H,1,3H2,2H3,(H,10,12).
What are the key properties of 5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 205.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130563500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).