2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine

C7H10F3N3S2 — CID 62577404

IUPAC2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCc1nnc(SCCNCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S2/c1-5-12-13-6(15-5)14-3-2-11-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyZGYPQDXQPPZCCM-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.09
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine

2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine (PubChem CID 62577404) has the molecular formula C7H10F3N3S2 and a molecular weight of 257.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
PubChem CID62577404
Molecular FormulaC7H10F3N3S2
Molecular Weight257.31 g/mol
Exact Mass257.03
IUPAC Name2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCc1nnc(SCCNCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S2/c1-5-12-13-6(15-5)14-3-2-11-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyZGYPQDXQPPZCCM-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

3,3,3-Trifluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 60876190
4,4,4-Trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 60877708
4,4,4-Trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
CID 61647692
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62577225
N-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 65706032
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78765258
3,3,3-Trifluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine
CID 103371660
N-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 104633047
2,2,2-trifluoro-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 115383699
Ethyl({5-[(trifluoromethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}methyl)amine
CID 165554059
(Propan-2-yl)({5-[(trifluoromethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}methyl)amine
CID 165862364
Methyl({5-[(trifluoromethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}methyl)amine
CID 165865372

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine (CID 62577404) is 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine is Cc1nnc(SCCNCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The InChIKey is ZGYPQDXQPPZCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S2/c1-5-12-13-6(15-5)14-3-2-11-4-7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine?
2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine has a molecular weight of 257.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine is sourced from PubChem (CID 62577404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).