5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine

C7H11F3N4S — CID 66279240

IUPAC5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCCN(CC(F)(F)F)c1nc(N)ns1
InChIInChI=1S/C7H11F3N4S/c1-2-3-14(4-7(8,9)10)6-12-5(11)13-15-6/h2-4H2,1H3,(H2,11,13)
InChIKeyAPNBGVWLHQKCBF-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.90
Rot. Bonds4

About 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279240) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279240
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC Name5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCCN(CC(F)(F)F)c1nc(N)ns1
InChIInChI=1S/C7H11F3N4S/c1-2-3-14(4-7(8,9)10)6-12-5(11)13-15-6/h2-4H2,1H3,(H2,11,13)
InChIKeyAPNBGVWLHQKCBF-UHFFFAOYSA-N
XLogP1.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66277938
5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279236
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279237
5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279238
5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280544
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66280998
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66281218
5-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 105939502
5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 106296012
5-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazole-3,5-diamine
CID 115522982
5-N-(2,2-difluoroethyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 116319207
5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 126976305

Frequently Asked Questions

What is the IUPAC name of 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66279240) is 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine is CCCN(CC(F)(F)F)c1nc(N)ns1.
What is the InChIKey of 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is APNBGVWLHQKCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-2-3-14(4-7(8,9)10)6-12-5(11)13-15-6/h2-4H2,1H3,(H2,11,13).
What are the key properties of 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 240.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).