5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

C7H10F3N3OS2 — CID 48914917

IUPAC5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS2/c1-14-2-3-15-6-13-12-5(16-6)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyDBDRXIHMLATAAM-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.25
Rot. Bonds6

About 5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 48914917) has the molecular formula C7H10F3N3OS2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
PubChem CID48914917
Molecular FormulaC7H10F3N3OS2
Molecular Weight273.31 g/mol
Exact Mass273.02
IUPAC Name5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS2/c1-14-2-3-15-6-13-12-5(16-6)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyDBDRXIHMLATAAM-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.25
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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Related Compounds

Butyl 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 48914915
5-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48914971
Methyl 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 48915031
5-propylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 52475744
N-(2-methoxyethyl)-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 52734181
5-(2,2-difluoroethylsulfanyl)-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 60306327
2-[2-[[5-(2,2,2-Trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]ethanol
CID 60311183
5-butan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 60333936
Propyl 2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 60344529
5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 60605231
N-ethyl-5-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 71853802
N-ethyl-5-[(2S)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 96540543

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (CID 48914917) is 5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is COCCSc1nnc(NCC(F)(F)F)s1.
What is the InChIKey of 5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DBDRXIHMLATAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS2/c1-14-2-3-15-6-13-12-5(16-6)11-4-7(8,9)10/h2-4H2,1H3,(H,11,12).
What are the key properties of 5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 273.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 48914917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).