N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine

C15H21N3OS — CID 105107566

IUPACN-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)c1snnc1C
InChIInChI=1S/C15H21N3OS/c1-4-9-16-13(15-11(2)17-18-20-15)10-12-7-5-6-8-14(12)19-3/h5-8,13,16H,4,9-10H2,1-3H3
InChIKeyWWTICGXDSIXFQF-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.14
Rot. Bonds7

About N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine

N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105107566) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
PubChem CID105107566
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)c1snnc1C
InChIInChI=1S/C15H21N3OS/c1-4-9-16-13(15-11(2)17-18-20-15)10-12-7-5-6-8-14(12)19-3/h5-8,13,16H,4,9-10H2,1-3H3
InChIKeyWWTICGXDSIXFQF-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105151019
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105118074
N-[2-(2-chloro-4-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105133333
N-[2-(2,4-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132701
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105334201
2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105087520
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
N-[2-(5-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132035
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107339
N-[2-(4-bromo-2-chlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105181752
N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82903206
[2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105289507

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine (CID 105107566) is N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1OC)c1snnc1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is WWTICGXDSIXFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-9-16-13(15-11(2)17-18-20-15)10-12-7-5-6-8-14(12)19-3/h5-8,13,16H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105107566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).