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

C14H17BrClN3S — CID 105181669

IUPAC2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
SMILESCC(C)(C)c1nnsc1C(N)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClN3S/c1-14(2,3)13-12(20-19-18-13)11(17)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6,17H2,1-3H3
InChIKeyJUIQYBLRMLHSAM-UHFFFAOYSA-N
MW374.74 g/mol
LogP4.49
Rot. Bonds3

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

2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine (PubChem CID 105181669) has the molecular formula C14H17BrClN3S and a molecular weight of 374.74 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
PubChem CID105181669
Molecular FormulaC14H17BrClN3S
Molecular Weight374.74 g/mol
Exact Mass373.00
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
SMILESCC(C)(C)c1nnsc1C(N)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClN3S/c1-14(2,3)13-12(20-19-18-13)11(17)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6,17H2,1-3H3
InChIKeyJUIQYBLRMLHSAM-UHFFFAOYSA-N
XLogP4.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.74
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine
CID 105096256
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237
2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105150953
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 105038039
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103407295
[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295283
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105110790
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105038016
1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
CID 105190570

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine (CID 105181669) is 2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine is CC(C)(C)c1nnsc1C(N)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
The InChIKey is JUIQYBLRMLHSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3S/c1-14(2,3)13-12(20-19-18-13)11(17)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6,17H2,1-3H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine has a molecular weight of 374.74 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105181669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).