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

C8H13F3N4S — CID 80607633

IUPAC5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCN(Cc1nnc(N)s1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-2-3-15(5-8(9,10)11)4-6-13-14-7(12)16-6/h2-5H2,1H3,(H2,12,14)
InChIKeyVATMVMAPQWLRTF-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.89
Rot. Bonds5

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

5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607633) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607633
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC Name5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCN(Cc1nnc(N)s1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-2-3-15(5-8(9,10)11)4-6-13-14-7(12)16-6/h2-5H2,1H3,(H2,12,14)
InChIKeyVATMVMAPQWLRTF-UHFFFAOYSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

5-[(Dimethylamino)methyl]-1,3,4-thiadiazol-2-amine
CID 63189099
5-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 126986635
5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606683
5-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606721
N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606893
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606999
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607000
5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607003
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607004
N-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607103
N-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607104
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607107

Frequently Asked Questions

What is the IUPAC name of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80607633) is 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCCN(Cc1nnc(N)s1)CC(F)(F)F.
What is the InChIKey of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VATMVMAPQWLRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c1-2-3-15(5-8(9,10)11)4-6-13-14-7(12)16-6/h2-5H2,1H3,(H2,12,14).
What are the key properties of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[propyl(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, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).