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

C4H4F3N3S — CID 103691574

IUPACN-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C4H4F3N3S/c1-8-3-9-2(10-11-3)4(5,6)7/h1H3,(H,8,9,10)
InChIKeyVRXSWWHCBNYGCK-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.60
Rot. Bonds1

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

N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103691574) has the molecular formula C4H4F3N3S and a molecular weight of 183.16 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103691574
Molecular FormulaC4H4F3N3S
Molecular Weight183.16 g/mol
Exact Mass183.01
IUPAC NameN-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C4H4F3N3S/c1-8-3-9-2(10-11-3)4(5,6)7/h1H3,(H,8,9,10)
InChIKeyVRXSWWHCBNYGCK-UHFFFAOYSA-N
XLogP1.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 103691574) is N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VRXSWWHCBNYGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3S/c1-8-3-9-2(10-11-3)4(5,6)7/h1H3,(H,8,9,10).
What are the key properties of N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 183.16 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103691574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).