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

C10H8BrF3N2S2 — CID 106783254

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H8BrF3N2S2/c1-15-8(5-2-3-7(11)17-5)6-4-16-9(18-6)10(12,13)14/h2-4,8,15H,1H3
InChIKeyKSPHQWSKWJEDPN-UHFFFAOYSA-N
MW357.22 g/mol
LogP4.29
Rot. Bonds3

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

1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783254) has the molecular formula C10H8BrF3N2S2 and a molecular weight of 357.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783254
Molecular FormulaC10H8BrF3N2S2
Molecular Weight357.22 g/mol
Exact Mass355.93
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H8BrF3N2S2/c1-15-8(5-2-3-7(11)17-5)6-4-16-9(18-6)10(12,13)14/h2-4,8,15H,1H3
InChIKeyKSPHQWSKWJEDPN-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 54.29
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
2-bromo-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4,6-difluoroaniline
CID 63120708
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
2-bromo-6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103741899
(4-Bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106782954
1-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106782955
Thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106782967
N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106782968
N-[thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106782969

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783254) is 1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNC(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is KSPHQWSKWJEDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2S2/c1-15-8(5-2-3-7(11)17-5)6-4-16-9(18-6)10(12,13)14/h2-4,8,15H,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 357.22 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).