5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine

C6H8F3N3S2 — CID 102809257

IUPAC5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCSC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S2/c1-4-11-12-5(14-4)10-2-3-13-6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyBCDVZJZYNILWLK-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.51
Rot. Bonds4

About 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 102809257) has the molecular formula C6H8F3N3S2 and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID102809257
Molecular FormulaC6H8F3N3S2
Molecular Weight243.28 g/mol
Exact Mass243.01
IUPAC Name5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCSC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S2/c1-4-11-12-5(14-4)10-2-3-13-6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyBCDVZJZYNILWLK-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 13229757
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 20567422
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545056
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764
ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 167491391
5-Sulfanylmethyl(ethyl)-1,3,4-thiadiazol-2-amine
CID 166001509
5-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48914971
5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 60605231
5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 65209492
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 65209670
N-ethyl-5-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 71853802

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 102809257) is 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCSC(F)(F)F)s1.
What is the InChIKey of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BCDVZJZYNILWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S2/c1-4-11-12-5(14-4)10-2-3-13-6(7,8)9/h2-3H2,1H3,(H,10,12).
What are the key properties of 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 243.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 102809257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).