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

C15H13BrN2OS — CID 106858077

IUPAC1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESNC(Cc1nc(-c2ccccc2)cs1)c1ccoc1Br
InChIInChI=1S/C15H13BrN2OS/c16-15-11(6-7-19-15)12(17)8-14-18-13(9-20-14)10-4-2-1-3-5-10/h1-7,9,12H,8,17H2
InChIKeyDFRZHSMTNYWZBC-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.41
Rot. Bonds4

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

1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 106858077) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID106858077
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESNC(Cc1nc(-c2ccccc2)cs1)c1ccoc1Br
InChIInChI=1S/C15H13BrN2OS/c16-15-11(6-7-19-15)12(17)8-14-18-13(9-20-14)10-4-2-1-3-5-10/h1-7,9,12H,8,17H2
InChIKeyDFRZHSMTNYWZBC-UHFFFAOYSA-N
XLogP4.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79820051
1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 106858230
1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164416
1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79828189
1-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79820082
1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine
CID 106854638
1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006670
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819695
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164424
1-(5-methyl-3-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164429
1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79819598

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 106858077) is 1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is NC(Cc1nc(-c2ccccc2)cs1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is DFRZHSMTNYWZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c16-15-11(6-7-19-15)12(17)8-14-18-13(9-20-14)10-4-2-1-3-5-10/h1-7,9,12H,8,17H2.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 349.25 g/mol, XLogP of 4.41, 4 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-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 106858077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).