N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine

C13H15F2N3OS — CID 107647988

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)c2cccc(OC(F)F)c2)s1
InChIInChI=1S/C13H15F2N3OS/c1-3-11-17-18-13(20-11)16-8(2)9-5-4-6-10(7-9)19-12(14)15/h4-8,12H,3H2,1-2H3,(H,16,18)
InChIKeyRLLGMFDLDALKOC-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.88
Rot. Bonds6

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

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107647988) has the molecular formula C13H15F2N3OS and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107647988
Molecular FormulaC13H15F2N3OS
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)c2cccc(OC(F)F)c2)s1
InChIInChI=1S/C13H15F2N3OS/c1-3-11-17-18-13(20-11)16-8(2)9-5-4-6-10(7-9)19-12(14)15/h4-8,12H,3H2,1-2H3,(H,16,18)
InChIKeyRLLGMFDLDALKOC-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-thiadiazol-2-amine
CID 107647887
N-[1-(3-methoxyphenyl)ethyl]-5-[4-[5-[1-(3-methoxyphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 74767869
3-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzonitrile
CID 107647770
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
CID 43714977
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 106041323
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115721752

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107647988) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)c2cccc(OC(F)F)c2)s1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RLLGMFDLDALKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3OS/c1-3-11-17-18-13(20-11)16-8(2)9-5-4-6-10(7-9)19-12(14)15/h4-8,12H,3H2,1-2H3,(H,16,18).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 299.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).