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

C9H15F3N4S — CID 80606893

IUPACN-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C9H15F3N4S/c1-6(2)16(5-9(10,11)12)4-7-14-15-8(13-3)17-7/h6H,4-5H2,1-3H3,(H,13,15)
InChIKeyBETHJCQIGDIQPE-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.35
Rot. Bonds5

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

N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606893) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606893
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC NameN-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C9H15F3N4S/c1-6(2)16(5-9(10,11)12)4-7-14-15-8(13-3)17-7/h6H,4-5H2,1-3H3,(H,13,15)
InChIKeyBETHJCQIGDIQPE-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80606893) is N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(CN(CC(F)(F)F)C(C)C)s1.
What is the InChIKey of N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BETHJCQIGDIQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-6(2)16(5-9(10,11)12)4-7-14-15-8(13-3)17-7/h6H,4-5H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[[propan-2-yl(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, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).