ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C6H10F3N3S — CID 167491391

IUPACethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC.CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H4F3N3S.C2H6/c1-8-3-10-9-2(11-3)4(5,6)7;1-2/h1H3,(H,8,10);1-2H3
InChIKeyWEYHZGMMAIJKPS-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.62
Rot. Bonds1

About ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 167491391) has the molecular formula C6H10F3N3S and a molecular weight of 213.23 g/mol. Its IUPAC name is ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID167491391
Molecular FormulaC6H10F3N3S
Molecular Weight213.23 g/mol
Exact Mass213.05
IUPAC Nameethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC.CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H4F3N3S.C2H6/c1-8-3-10-9-2(11-3)4(5,6)7;1-2/h1H3,(H,8,10);1-2H3
InChIKeyWEYHZGMMAIJKPS-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 167491391) is ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC.CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WEYHZGMMAIJKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3S.C2H6/c1-8-3-10-9-2(11-3)4(5,6)7;1-2/h1H3,(H,8,10);1-2H3.
What are the key properties of ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 213.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 167491391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).