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

C10H15F3N4S — CID 80607323

IUPAC5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C10H15F3N4S/c1-2-14-9-16-15-8(18-9)5-17(7-3-4-7)6-10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyFICARRCXLFPHQQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.50
Rot. Bonds6

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

5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607323) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID80607323
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C10H15F3N4S/c1-2-14-9-16-15-8(18-9)5-17(7-3-4-7)6-10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyFICARRCXLFPHQQ-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 86800409
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764
N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 166810497
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 65209670
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785
N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606893
N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606894
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606940
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]-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

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 80607323) is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FICARRCXLFPHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-2-14-9-16-15-8(18-9)5-17(7-3-4-7)6-10(11,12)13/h7H,2-6H2,1H3,(H,14,16).
What are the key properties of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 280.32 g/mol, XLogP of 2.50, 6 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]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).