1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

C15H13BrN2S2 — CID 105164416

IUPAC1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESNC(Cc1nc(-c2ccccc2)cs1)c1csc(Br)c1
InChIInChI=1S/C15H13BrN2S2/c16-14-6-11(8-19-14)12(17)7-15-18-13(9-20-15)10-4-2-1-3-5-10/h1-6,8-9,12H,7,17H2
InChIKeyXQITYPFIDUTTPS-UHFFFAOYSA-N
MW365.32 g/mol
LogP4.88
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105164416) has the molecular formula C15H13BrN2S2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105164416
Molecular FormulaC15H13BrN2S2
Molecular Weight365.32 g/mol
Exact Mass363.97
IUPAC Name1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESNC(Cc1nc(-c2ccccc2)cs1)c1csc(Br)c1
InChIInChI=1S/C15H13BrN2S2/c16-14-6-11(8-19-14)12(17)7-15-18-13(9-20-15)10-4-2-1-3-5-10/h1-6,8-9,12H,7,17H2
InChIKeyXQITYPFIDUTTPS-UHFFFAOYSA-N
XLogP4.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79828189
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-(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
1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine
CID 105158058
triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
CID 23143294
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819695
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 105164416) is 1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is NC(Cc1nc(-c2ccccc2)cs1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is XQITYPFIDUTTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S2/c16-14-6-11(8-19-14)12(17)7-15-18-13(9-20-15)10-4-2-1-3-5-10/h1-6,8-9,12H,7,17H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 365.32 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105164416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).