N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C11H10BrF3N2S2 — CID 106783255

IUPACN-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H10BrF3N2S2/c1-2-16-9(6-3-4-8(12)18-6)7-5-17-10(19-7)11(13,14)15/h3-5,9,16H,2H2,1H3
InChIKeyIBCLJHPETITFRD-UHFFFAOYSA-N
MW371.25 g/mol
LogP4.68
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106783255) has the molecular formula C11H10BrF3N2S2 and a molecular weight of 371.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106783255
Molecular FormulaC11H10BrF3N2S2
Molecular Weight371.25 g/mol
Exact Mass369.94
IUPAC NameN-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H10BrF3N2S2/c1-2-16-9(6-3-4-8(12)18-6)7-5-17-10(19-7)11(13,14)15/h3-5,9,16H,2H2,1H3
InChIKeyIBCLJHPETITFRD-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868780
2-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4,6-difluoroaniline
CID 54883128
5-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline
CID 54883180
4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline
CID 54883269
2-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 54883661
2-bromo-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4,6-difluoroaniline
CID 63120708
4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-fluoroaniline
CID 65435142
4-bromo-2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 65468140
4-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,6-difluoroaniline
CID 65469683
4-bromo-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-difluoroaniline
CID 65469862
5-bromo-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,4-difluoroaniline
CID 102852610
5-bromo-2,4-difluoro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 102853249

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106783255) is N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is IBCLJHPETITFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2S2/c1-2-16-9(6-3-4-8(12)18-6)7-5-17-10(19-7)11(13,14)15/h3-5,9,16H,2H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 371.25 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106783255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).