4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine

C8H11F3N4S — CID 103577437

IUPAC4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine
SMILESCC1CN(c2nnc(C(F)(F)F)s2)CC1N
InChIInChI=1S/C8H11F3N4S/c1-4-2-15(3-5(4)12)7-14-13-6(16-7)8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeySXBVFMGFYTXGRE-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.34
Rot. Bonds1

About 4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine

4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine (PubChem CID 103577437) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine
PubChem CID103577437
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine
SMILESCC1CN(c2nnc(C(F)(F)F)s2)CC1N
InChIInChI=1S/C8H11F3N4S/c1-4-2-15(3-5(4)12)7-14-13-6(16-7)8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeySXBVFMGFYTXGRE-UHFFFAOYSA-N
XLogP1.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine (CID 103577437) is 4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine is CC1CN(c2nnc(C(F)(F)F)s2)CC1N.
What is the InChIKey of 4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine?
The InChIKey is SXBVFMGFYTXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c1-4-2-15(3-5(4)12)7-14-13-6(16-7)8(9,10)11/h4-5H,2-3,12H2,1H3.
What are the key properties of 4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine?
4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine has a molecular weight of 252.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 103577437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).