N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H11F3N4OS — CID 114449878

IUPACN-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESNCCOc1cccc(Nc2nnc(C(F)(F)F)s2)c1
InChIInChI=1S/C11H11F3N4OS/c12-11(13,14)9-17-18-10(20-9)16-7-2-1-3-8(6-7)19-5-4-15/h1-3,6H,4-5,15H2,(H,16,18)
InChIKeyDUMXSDNMAXZVNL-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.64
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449878) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449878
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESNCCOc1cccc(Nc2nnc(C(F)(F)F)s2)c1
InChIInChI=1S/C11H11F3N4OS/c12-11(13,14)9-17-18-10(20-9)16-7-2-1-3-8(6-7)19-5-4-15/h1-3,6H,4-5,15H2,(H,16,18)
InChIKeyDUMXSDNMAXZVNL-UHFFFAOYSA-N
XLogP2.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 63121097
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
N-[3-(2-aminoethoxy)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616720
N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine
CID 63121028
N-[3-(2-aminoethoxy)phenyl]-6-ethoxypyridin-2-amine
CID 63590964
methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate
CID 63121112
4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide
CID 63120956
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
(Z)-3-[3-[2-(2-chlorophenoxy)ethoxy]phenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 170911797
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106998107
3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline
CID 143981627

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449878) is N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is NCCOc1cccc(Nc2nnc(C(F)(F)F)s2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DUMXSDNMAXZVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c12-11(13,14)9-17-18-10(20-9)16-7-2-1-3-8(6-7)19-5-4-15/h1-3,6H,4-5,15H2,(H,16,18).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 304.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).