N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C4H4F3N3OS — CID 22899276

IUPACN-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCONc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H4F3N3OS/c1-11-10-3-9-8-2(12-3)4(5,6)7/h1H3,(H,9,10)
InChIKeyWZWZCHFADIHBDN-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.53
Rot. Bonds2

About N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 22899276) has the molecular formula C4H4F3N3OS and a molecular weight of 199.16 g/mol. Its IUPAC name is N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID22899276
Molecular FormulaC4H4F3N3OS
Molecular Weight199.16 g/mol
Exact Mass199.00
IUPAC NameN-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCONc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H4F3N3OS/c1-11-10-3-9-8-2(12-3)4(5,6)7/h1H3,(H,9,10)
InChIKeyWZWZCHFADIHBDN-UHFFFAOYSA-N
XLogP1.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 22899276) is N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CONc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WZWZCHFADIHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3OS/c1-11-10-3-9-8-2(12-3)4(5,6)7/h1H3,(H,9,10).
What are the key properties of N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 199.16 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 22899276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).