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

C10H15F3N4S — CID 114173327

IUPACN-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H15F3N4S/c1-9(5-14-2)3-4-17(6-9)8-16-15-7(18-8)10(11,12)13/h14H,3-6H2,1-2H3
InChIKeyPNKRNGDZGYUXDQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.99
Rot. Bonds3

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

N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine (PubChem CID 114173327) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine
PubChem CID114173327
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H15F3N4S/c1-9(5-14-2)3-4-17(6-9)8-16-15-7(18-8)10(11,12)13/h14H,3-6H2,1-2H3
InChIKeyPNKRNGDZGYUXDQ-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine (CID 114173327) is N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(c2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is PNKRNGDZGYUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-9(5-14-2)3-4-17(6-9)8-16-15-7(18-8)10(11,12)13/h14H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 280.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114173327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).