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

C15H20BrN3OS — CID 105151019

IUPACN-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(OC)ccc1Br)c1snnc1C
InChIInChI=1S/C15H20BrN3OS/c1-4-7-17-14(15-10(2)18-19-21-15)9-11-8-12(20-3)5-6-13(11)16/h5-6,8,14,17H,4,7,9H2,1-3H3
InChIKeyLQIXFSFWLFIHFL-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.90
Rot. Bonds7

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

N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105151019) has the molecular formula C15H20BrN3OS and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
PubChem CID105151019
Molecular FormulaC15H20BrN3OS
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC NameN-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(OC)ccc1Br)c1snnc1C
InChIInChI=1S/C15H20BrN3OS/c1-4-7-17-14(15-10(2)18-19-21-15)9-11-8-12(20-3)5-6-13(11)16/h5-6,8,14,17H,4,7,9H2,1-3H3
InChIKeyLQIXFSFWLFIHFL-UHFFFAOYSA-N
XLogP3.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105107566
N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 65325570
N-[2-(5-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132035
N-[2-(4-bromo-2-chlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105181752
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105136734
N-[2-(2,4-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132701
N-[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105136841
2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105087520
N-[2-(2-chloro-4-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105133333
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105150939
N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105168373
N-[(3-bromo-2,6-difluorophenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 106944775

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine (CID 105151019) is N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(OC)ccc1Br)c1snnc1C.
What is the InChIKey of N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is LQIXFSFWLFIHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3OS/c1-4-7-17-14(15-10(2)18-19-21-15)9-11-8-12(20-3)5-6-13(11)16/h5-6,8,14,17H,4,7,9H2,1-3H3.
What are the key properties of N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 370.32 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105151019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).