5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine

C8H13F3N4S — CID 80606683

IUPAC5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)N(Cc1nnc(N)s1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-5(2)15(4-8(9,10)11)3-6-13-14-7(12)16-6/h5H,3-4H2,1-2H3,(H2,12,14)
InChIKeyNCCSVXVVMWVFEK-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.89
Rot. Bonds4

About 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606683) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606683
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)N(Cc1nnc(N)s1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-5(2)15(4-8(9,10)11)3-6-13-14-7(12)16-6/h5H,3-4H2,1-2H3,(H2,12,14)
InChIKeyNCCSVXVVMWVFEK-UHFFFAOYSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80606683) is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CC(C)N(Cc1nnc(N)s1)CC(F)(F)F.
What is the InChIKey of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NCCSVXVVMWVFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c1-5(2)15(4-8(9,10)11)3-6-13-14-7(12)16-6/h5H,3-4H2,1-2H3,(H2,12,14).
What are the key properties of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 254.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).