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

C9H15F3N4S — CID 80607734

IUPACN-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCN(Cc1nnc(NC)s1)CC(F)(F)F
InChIInChI=1S/C9H15F3N4S/c1-3-4-16(6-9(10,11)12)5-7-14-15-8(13-2)17-7/h3-6H2,1-2H3,(H,13,15)
InChIKeyMOGMHRJUCXFCEI-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.35
Rot. Bonds6

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

N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607734) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607734
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC NameN-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCN(Cc1nnc(NC)s1)CC(F)(F)F
InChIInChI=1S/C9H15F3N4S/c1-3-4-16(6-9(10,11)12)5-7-14-15-8(13-2)17-7/h3-6H2,1-2H3,(H,13,15)
InChIKeyMOGMHRJUCXFCEI-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80607734) is N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCCN(Cc1nnc(NC)s1)CC(F)(F)F.
What is the InChIKey of N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MOGMHRJUCXFCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-3-4-16(6-9(10,11)12)5-7-14-15-8(13-2)17-7/h3-6H2,1-2H3,(H,13,15).
What are the key properties of N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-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 N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).