N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H17F3N4OS — CID 106620982

IUPACN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCN(CC1CCCN1)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4OS/c1-19-6-5-18(7-8-3-2-4-15-8)10-17-16-9(20-10)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyBOWHEXYYWFPYQG-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.76
Rot. Bonds6

About N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106620982) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106620982
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCN(CC1CCCN1)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4OS/c1-19-6-5-18(7-8-3-2-4-15-8)10-17-16-9(20-10)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyBOWHEXYYWFPYQG-UHFFFAOYSA-N
XLogP1.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 106620982) is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is COCCN(CC1CCCN1)c1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BOWHEXYYWFPYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-19-6-5-18(7-8-3-2-4-15-8)10-17-16-9(20-10)11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 310.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106620982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).