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

C9H15F3N4S — CID 80607000

IUPAC5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(C)CC(F)(F)F)s1
InChIInChI=1S/C9H15F3N4S/c1-3-4-13-8-15-14-7(17-8)5-16(2)6-9(10,11)12/h3-6H2,1-2H3,(H,13,15)
InChIKeyYKQMHAPTBKRCGR-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.35
Rot. Bonds6

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

5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607000) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80607000
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC Name5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(C)CC(F)(F)F)s1
InChIInChI=1S/C9H15F3N4S/c1-3-4-13-8-15-14-7(17-8)5-16(2)6-9(10,11)12/h3-6H2,1-2H3,(H,13,15)
InChIKeyYKQMHAPTBKRCGR-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-YL]piperazine
CID 2146069
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane hydrochloride
CID 75525547
2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 86800409
2-Piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 2146068
N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 13229757
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 20567422
N-hexyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21544995
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545056
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
CID 59230097
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764
2-Piperazin-1-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 163606558

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80607000) is 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN(C)CC(F)(F)F)s1.
What is the InChIKey of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YKQMHAPTBKRCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-3-4-13-8-15-14-7(17-8)5-16(2)6-9(10,11)12/h3-6H2,1-2H3,(H,13,15).
What are the key properties of 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 268.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).