N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C8H12F3N5S — CID 80613666

IUPACN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNNc1nnc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C8H12F3N5S/c9-8(10,11)4-16(5-1-2-5)3-6-14-15-7(13-12)17-6/h5H,1-4,12H2,(H,13,15)
InChIKeyDGTXCAWPNRLLMF-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.35
Rot. Bonds5

About N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 80613666) has the molecular formula C8H12F3N5S and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID80613666
Molecular FormulaC8H12F3N5S
Molecular Weight267.28 g/mol
Exact Mass267.08
IUPAC NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNNc1nnc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C8H12F3N5S/c9-8(10,11)4-16(5-1-2-5)3-6-14-15-7(13-12)17-6/h5H,1-4,12H2,(H,13,15)
InChIKeyDGTXCAWPNRLLMF-UHFFFAOYSA-N
XLogP1.35
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 80613666) is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is NNc1nnc(CN(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is DGTXCAWPNRLLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5S/c9-8(10,11)4-16(5-1-2-5)3-6-14-15-7(13-12)17-6/h5H,1-4,12H2,(H,13,15).
What are the key properties of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 267.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 80613666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).