1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

C9H9BrN2S2 — CID 131067773

IUPAC1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCNC(c1cscn1)c1cc(Br)cs1
InChIInChI=1S/C9H9BrN2S2/c1-11-9(7-4-13-5-12-7)8-2-6(10)3-14-8/h2-5,9,11H,1H3
InChIKeyLACIGJIETSXPLP-UHFFFAOYSA-N
MW289.22 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 131067773) has the molecular formula C9H9BrN2S2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
PubChem CID131067773
Molecular FormulaC9H9BrN2S2
Molecular Weight289.22 g/mol
Exact Mass287.94
IUPAC Name1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCNC(c1cscn1)c1cc(Br)cs1
InChIInChI=1S/C9H9BrN2S2/c1-11-9(7-4-13-5-12-7)8-2-6(10)3-14-8/h2-5,9,11H,1H3
InChIKeyLACIGJIETSXPLP-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine (CID 131067773) is 1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine is CNC(c1cscn1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is LACIGJIETSXPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2S2/c1-11-9(7-4-13-5-12-7)8-2-6(10)3-14-8/h2-5,9,11H,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 289.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 131067773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).