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

C8H11F3N4S — CID 80607216

IUPAC5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)4-15(5-1-2-5)3-6-13-14-7(12)16-6/h5H,1-4H2,(H2,12,14)
InChIKeyRFLLZKXXCKQIOW-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.65
Rot. Bonds4

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

5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607216) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607216
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)4-15(5-1-2-5)3-6-13-14-7(12)16-6/h5H,1-4H2,(H2,12,14)
InChIKeyRFLLZKXXCKQIOW-UHFFFAOYSA-N
XLogP1.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607003
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607217
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607322
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607323
5-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607633
N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607734
5-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80608074

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80607216) is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CN(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RFLLZKXXCKQIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c9-8(10,11)4-15(5-1-2-5)3-6-13-14-7(12)16-6/h5H,1-4H2,(H2,12,14).
What are the key properties of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 252.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).