5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine

C9H11F2N5S — CID 71848636

IUPAC5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)c1nnc(NCCCn2cccn2)s1
InChIInChI=1S/C9H11F2N5S/c10-7(11)8-14-15-9(17-8)12-3-1-5-16-6-2-4-13-16/h2,4,6-7H,1,3,5H2,(H,12,15)
InChIKeyKUNCZVPKPWWGKZ-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.17
Rot. Bonds6

About 5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine

5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 71848636) has the molecular formula C9H11F2N5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID71848636
Molecular FormulaC9H11F2N5S
Molecular Weight259.28 g/mol
Exact Mass259.07
IUPAC Name5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)c1nnc(NCCCn2cccn2)s1
InChIInChI=1S/C9H11F2N5S/c10-7(11)8-14-15-9(17-8)12-3-1-5-16-6-2-4-13-16/h2,4,6-7H,1,3,5H2,(H,12,15)
InChIKeyKUNCZVPKPWWGKZ-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine (CID 71848636) is 5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine is FC(F)c1nnc(NCCCn2cccn2)s1.
What is the InChIKey of 5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KUNCZVPKPWWGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5S/c10-7(11)8-14-15-9(17-8)12-3-1-5-16-6-2-4-13-16/h2,4,6-7H,1,3,5H2,(H,12,15).
What are the key properties of 5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 259.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 71848636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).