N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine

C13H16FN3S — CID 105087093

IUPACN-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1cnns1
InChIInChI=1S/C13H16FN3S/c1-2-7-15-12(13-9-16-17-18-13)8-10-3-5-11(14)6-4-10/h3-6,9,12,15H,2,7-8H2,1H3
InChIKeyHBBGSFVRVVLLAR-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine

N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105087093) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
PubChem CID105087093
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC NameN-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1cnns1
InChIInChI=1S/C13H16FN3S/c1-2-7-15-12(13-9-16-17-18-13)8-10-3-5-11(14)6-4-10/h3-6,9,12,15H,2,7-8H2,1H3
InChIKeyHBBGSFVRVVLLAR-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105101683
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105111613
N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105180640
2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105087109
3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105152291
N-propyl-1-(thiadiazol-5-yl)undecan-1-amine
CID 105138198
4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105139842
N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
[2-(4-methylphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 105284186
N-ethyl-1-(thiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137529
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114647443

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine (CID 105087093) is N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1)c1cnns1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is HBBGSFVRVVLLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-2-7-15-12(13-9-16-17-18-13)8-10-3-5-11(14)6-4-10/h3-6,9,12,15H,2,7-8H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105087093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).