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

C5H6F3N3S — CID 130557653

IUPACN,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S/c1-11(2)4-10-9-3(12-4)5(6,7)8/h1-2H3
InChIKeyKNJXQTPLJVUFMR-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.62
Rot. Bonds1

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

N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 130557653) has the molecular formula C5H6F3N3S and a molecular weight of 197.19 g/mol. Its IUPAC name is N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID130557653
Molecular FormulaC5H6F3N3S
Molecular Weight197.19 g/mol
Exact Mass197.02
IUPAC NameN,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S/c1-11(2)4-10-9-3(12-4)5(6,7)8/h1-2H3
InChIKeyKNJXQTPLJVUFMR-UHFFFAOYSA-N
XLogP1.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 133492289
N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 106918204
3-methoxy-1-N-methyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 114450387
N'-propyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449487
4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine
CID 114449952
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133492419
2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid
CID 114449317
2-[2-[ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol
CID 114263321
2-(4-methylphenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 176952533
1-(2-bromophenyl)-2-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 166235557
N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448040
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 25022336

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 130557653) is N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(C(F)(F)F)s1.
What is the InChIKey of N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KNJXQTPLJVUFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-11(2)4-10-9-3(12-4)5(6,7)8/h1-2H3.
What are the key properties of N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 197.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130557653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).