2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine

C15H20BrN3OS — CID 105150953

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)c2snnc2C(C)(C)C)c1
InChIInChI=1S/C15H20BrN3OS/c1-15(2,3)14-13(21-19-18-14)12(17)8-9-7-10(20-4)5-6-11(9)16/h5-7,12H,8,17H2,1-4H3
InChIKeyIDZCCJIPUWKOAP-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.85
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine

2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine (PubChem CID 105150953) has the molecular formula C15H20BrN3OS and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
PubChem CID105150953
Molecular FormulaC15H20BrN3OS
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)c2snnc2C(C)(C)C)c1
InChIInChI=1S/C15H20BrN3OS/c1-15(2,3)14-13(21-19-18-14)12(17)8-9-7-10(20-4)5-6-11(9)16/h5-7,12H,8,17H2,1-4H3
InChIKeyIDZCCJIPUWKOAP-UHFFFAOYSA-N
XLogP3.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105110790
2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 115862188
(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
CID 105145080
2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 65325066
1-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]-4-methoxybenzene
CID 83139272
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 65325616
N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105151019
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine (CID 105150953) is 2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine is COc1ccc(Br)c(CC(N)c2snnc2C(C)(C)C)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
The InChIKey is IDZCCJIPUWKOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3OS/c1-15(2,3)14-13(21-19-18-14)12(17)8-9-7-10(20-4)5-6-11(9)16/h5-7,12H,8,17H2,1-4H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine has a molecular weight of 370.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105150953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).