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

C17H15BrN2S — CID 79828189

IUPAC1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESNC(Cc1nc(-c2ccccc2)cs1)c1cccc(Br)c1
InChIInChI=1S/C17H15BrN2S/c18-14-8-4-7-13(9-14)15(19)10-17-20-16(11-21-17)12-5-2-1-3-6-12/h1-9,11,15H,10,19H2
InChIKeyVYELHNROVAGZJL-UHFFFAOYSA-N
MW359.29 g/mol
LogP4.82
Rot. Bonds4

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

1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 79828189) has the molecular formula C17H15BrN2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID79828189
Molecular FormulaC17H15BrN2S
Molecular Weight359.29 g/mol
Exact Mass358.01
IUPAC Name1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESNC(Cc1nc(-c2ccccc2)cs1)c1cccc(Br)c1
InChIInChI=1S/C17H15BrN2S/c18-14-8-4-7-13(9-14)15(19)10-17-20-16(11-21-17)12-5-2-1-3-6-12/h1-9,11,15H,10,19H2
InChIKeyVYELHNROVAGZJL-UHFFFAOYSA-N
XLogP4.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164416
1-(5-methyl-3-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164429
1-(2-bromofuran-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 106858077
1-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79820051
1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164424
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964967
1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006670
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 9173965
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
4-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66161211

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 79828189) is 1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is NC(Cc1nc(-c2ccccc2)cs1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is VYELHNROVAGZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2S/c18-14-8-4-7-13(9-14)15(19)10-17-20-16(11-21-17)12-5-2-1-3-6-12/h1-9,11,15H,10,19H2.
What are the key properties of 1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 359.29 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79828189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).