1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C13H16FN3OS — CID 105144492

IUPAC1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FN3OS/c1-4-10-13(19-17-16-10)12(15-2)8-5-6-11(18-3)9(14)7-8/h5-7,12,15H,4H2,1-3H3
InChIKeyOINBYLRHQORHFU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds5

About 1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 105144492) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID105144492
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FN3OS/c1-4-10-13(19-17-16-10)12(15-2)8-5-6-11(18-3)9(14)7-8/h5-7,12,15H,4H2,1-3H3
InChIKeyOINBYLRHQORHFU-UHFFFAOYSA-N
XLogP2.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105145714
(3-fluoro-4-methoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105144608
1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105018455
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 105144640
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105172229
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(3-bromo-5-methylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 65279453
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487683
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105144593

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 105144492) is 1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CCc1nnsc1C(NC)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is OINBYLRHQORHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-4-10-13(19-17-16-10)12(15-2)8-5-6-11(18-3)9(14)7-8/h5-7,12,15H,4H2,1-3H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105144492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).