1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine

C13H17BrN2OS — CID 106858230

IUPAC1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
SMILESCC(C)(C)c1csc(CC(N)c2ccoc2Br)n1
InChIInChI=1S/C13H17BrN2OS/c1-13(2,3)10-7-18-11(16-10)6-9(15)8-4-5-17-12(8)14/h4-5,7,9H,6,15H2,1-3H3
InChIKeyOVSHSEZTGVCTPO-UHFFFAOYSA-N
MW329.26 g/mol
LogP4.04
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine

1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 106858230) has the molecular formula C13H17BrN2OS and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
PubChem CID106858230
Molecular FormulaC13H17BrN2OS
Molecular Weight329.26 g/mol
Exact Mass328.02
IUPAC Name1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
SMILESCC(C)(C)c1csc(CC(N)c2ccoc2Br)n1
InChIInChI=1S/C13H17BrN2OS/c1-13(2,3)10-7-18-11(16-10)6-9(15)8-4-5-17-12(8)14/h4-5,7,9H,6,15H2,1-3H3
InChIKeyOVSHSEZTGVCTPO-UHFFFAOYSA-N
XLogP4.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 106858077
1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 107538587
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chlorofuran-3-yl)ethyl]hydrazine
CID 106694611
1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 105016098
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105169573
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 105016050
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105016076
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065878
1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine
CID 106857415
1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine
CID 106854638

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine (CID 106858230) is 1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine is CC(C)(C)c1csc(CC(N)c2ccoc2Br)n1.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is OVSHSEZTGVCTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2OS/c1-13(2,3)10-7-18-11(16-10)6-9(15)8-4-5-17-12(8)14/h4-5,7,9H,6,15H2,1-3H3.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 329.26 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 106858230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).