N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine

C3H2F3N3OS — CID 126975744

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine
SMILESONc1nnc(C(F)(F)F)s1
InChIInChI=1S/C3H2F3N3OS/c4-3(5,6)1-7-8-2(9-10)11-1/h10H,(H,8,9)
InChIKeyLOCKXOCCGBXFBQ-UHFFFAOYSA-N
MW185.13 g/mol
LogP1.36
Rot. Bonds1

About N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine (PubChem CID 126975744) has the molecular formula C3H2F3N3OS and a molecular weight of 185.13 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine
PubChem CID126975744
Molecular FormulaC3H2F3N3OS
Molecular Weight185.13 g/mol
Exact Mass184.99
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine
SMILESONc1nnc(C(F)(F)F)s1
InChIInChI=1S/C3H2F3N3OS/c4-3(5,6)1-7-8-2(9-10)11-1/h10H,(H,8,9)
InChIKeyLOCKXOCCGBXFBQ-UHFFFAOYSA-N
XLogP1.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine (CID 126975744) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine is ONc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine?
The InChIKey is LOCKXOCCGBXFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3N3OS/c4-3(5,6)1-7-8-2(9-10)11-1/h10H,(H,8,9).
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine has a molecular weight of 185.13 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hydroxylamine is sourced from PubChem (CID 126975744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).