N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine

C14H18FN3OS — CID 105180640

IUPACN-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1F)c1cnns1
InChIInChI=1S/C14H18FN3OS/c1-3-7-16-11(13-9-17-18-20-13)8-10-5-4-6-12(19-2)14(10)15/h4-6,9,11,16H,3,7-8H2,1-2H3
InChIKeyQTHMUSPHMNOIQV-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.97
Rot. Bonds7

About N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine

N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105180640) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
PubChem CID105180640
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC NameN-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1F)c1cnns1
InChIInChI=1S/C14H18FN3OS/c1-3-7-16-11(13-9-17-18-20-13)8-10-5-4-6-12(19-2)14(10)15/h4-6,9,11,16H,3,7-8H2,1-2H3
InChIKeyQTHMUSPHMNOIQV-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105180643
N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105087093
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105180698
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105101683
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127
3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105152291
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 104793850
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105111613
[2-(2,3-difluorophenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 105297891
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 104793996

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine (CID 105180640) is N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(OC)c1F)c1cnns1.
What is the InChIKey of N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is QTHMUSPHMNOIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-3-7-16-11(13-9-17-18-20-13)8-10-5-4-6-12(19-2)14(10)15/h4-6,9,11,16H,3,7-8H2,1-2H3.
What are the key properties of N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 295.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105180640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).