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

C9H13F3N4S — CID 80607322

IUPAC5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C9H13F3N4S/c1-13-8-15-14-7(17-8)4-16(6-2-3-6)5-9(10,11)12/h6H,2-5H2,1H3,(H,13,15)
InChIKeyMABRYQXLPMGWKC-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.11
Rot. Bonds5

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

5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607322) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80607322
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC Name5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C9H13F3N4S/c1-13-8-15-14-7(17-8)4-16(6-2-3-6)5-9(10,11)12/h6H,2-5H2,1H3,(H,13,15)
InChIKeyMABRYQXLPMGWKC-UHFFFAOYSA-N
XLogP2.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.11
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
5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606683
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785
N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606829
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
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
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607107
N-ethyl-5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607108

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80607322) is 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CN(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MABRYQXLPMGWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-13-8-15-14-7(17-8)4-16(6-2-3-6)5-9(10,11)12/h6H,2-5H2,1H3,(H,13,15).
What are the key properties of 5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 266.29 g/mol, XLogP of 2.11, 5 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-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).