N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine

C11H12FN3OS — CID 115505224

IUPACN-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine
SMILESCCNc1nsnc1-c1ccc(OC)cc1F
InChIInChI=1S/C11H12FN3OS/c1-3-13-11-10(14-17-15-11)8-5-4-7(16-2)6-9(8)12/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyOLGSANUCQICCAJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.78
Rot. Bonds4

About N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine

N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine (PubChem CID 115505224) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine
PubChem CID115505224
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC NameN-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine
SMILESCCNc1nsnc1-c1ccc(OC)cc1F
InChIInChI=1S/C11H12FN3OS/c1-3-13-11-10(14-17-15-11)8-5-4-7(16-2)6-9(8)12/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyOLGSANUCQICCAJ-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine
CID 6490647
N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 7660248
N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
CID 7679169
N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 7692601
4-(3-Fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 65642521
N-propyl-4-[2-(trifluoromethoxy)phenyl]-1,2,5-thiadiazol-3-amine
CID 65644019
N-methyl-4-[2-(trifluoromethoxy)phenyl]-1,2,5-thiadiazol-3-amine
CID 65644226
N-ethyl-4-[2-(trifluoromethoxy)phenyl]-1,2,5-thiadiazol-3-amine
CID 65644427
3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
CID 65651713
N-ethyl-3-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrazin-2-amine
CID 65652332
N-propyl-4-[3-(trifluoromethoxy)phenyl]-1,2,5-thiadiazol-3-amine
CID 65674907
4-(5-fluoro-2-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 65675132

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine (CID 115505224) is N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine is CCNc1nsnc1-c1ccc(OC)cc1F.
What is the InChIKey of N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is OLGSANUCQICCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-3-13-11-10(14-17-15-11)8-5-4-7(16-2)6-9(8)12/h4-6H,3H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine?
N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 253.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluoro-4-methoxyphenyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 115505224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).