2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine

C15H20BrN3OS — CID 105110790

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
SMILESCOc1ccc(CC(N)c2snnc2C(C)(C)C)cc1Br
InChIInChI=1S/C15H20BrN3OS/c1-15(2,3)14-13(21-19-18-14)11(17)8-9-5-6-12(20-4)10(16)7-9/h5-7,11H,8,17H2,1-4H3
InChIKeyAIBANFYDAMQYCB-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.85
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine

2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine (PubChem CID 105110790) has the molecular formula C15H20BrN3OS and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
PubChem CID105110790
Molecular FormulaC15H20BrN3OS
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
SMILESCOc1ccc(CC(N)c2snnc2C(C)(C)C)cc1Br
InChIInChI=1S/C15H20BrN3OS/c1-15(2,3)14-13(21-19-18-14)11(17)8-9-5-6-12(20-4)10(16)7-9/h5-7,11H,8,17H2,1-4H3
InChIKeyAIBANFYDAMQYCB-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-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105150953
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethoxyphenyl)methanamine
CID 105141183
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105110930
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
2-(3-bromo-4-methoxyphenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115817818
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
CID 105145080
2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105181669
(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 105172943
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
1-(3-bromo-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105110880
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine (CID 105110790) is 2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine is COc1ccc(CC(N)c2snnc2C(C)(C)C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
The InChIKey is AIBANFYDAMQYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3OS/c1-15(2,3)14-13(21-19-18-14)11(17)8-9-5-6-12(20-4)10(16)7-9/h5-7,11H,8,17H2,1-4H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
2-(3-bromo-4-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-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105110790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).