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

C10H15F3N4S — CID 114449640

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCN1CCC(CNc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H15F3N4S/c1-2-17-4-3-7(6-17)5-14-9-16-15-8(18-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyIQQMLVFBYVYDAD-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.31
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449640) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449640
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCN1CCC(CNc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H15F3N4S/c1-2-17-4-3-7(6-17)5-14-9-16-15-8(18-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyIQQMLVFBYVYDAD-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449640) is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCN1CCC(CNc2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IQQMLVFBYVYDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-2-17-4-3-7(6-17)5-14-9-16-15-8(18-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,16).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 280.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).