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

C9H6BrF3N2S2 — CID 106783253

IUPAC(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H6BrF3N2S2/c10-6-2-1-4(16-6)7(14)5-3-15-8(17-5)9(11,12)13/h1-3,7H,14H2
InChIKeyTVLYWAYBAXZZQZ-UHFFFAOYSA-N
MW343.19 g/mol
LogP4.03
Rot. Bonds2

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

(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783253) has the molecular formula C9H6BrF3N2S2 and a molecular weight of 343.19 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783253
Molecular FormulaC9H6BrF3N2S2
Molecular Weight343.19 g/mol
Exact Mass341.91
IUPAC Name(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H6BrF3N2S2/c10-6-2-1-4(16-6)7(14)5-3-15-8(17-5)9(11,12)13/h1-3,7H,14H2
InChIKeyTVLYWAYBAXZZQZ-UHFFFAOYSA-N
XLogP4.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
2-(4-Bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782975
(3-Bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106782982
2-(3-Bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782995
1-(3-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783028
(2-Bromophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783118
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783119
2-Thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783156

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783253) is (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1ccc(Br)s1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is TVLYWAYBAXZZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2S2/c10-6-2-1-4(16-6)7(14)5-3-15-8(17-5)9(11,12)13/h1-3,7H,14H2.
What are the key properties of (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 343.19 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).