1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine

C14H13BrN2S2 — CID 115380744

IUPAC1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)c1nc2ccccc2s1
InChIInChI=1S/C14H13BrN2S2/c1-16-11(8-13-9(15)6-7-18-13)14-17-10-4-2-3-5-12(10)19-14/h2-7,11,16H,8H2,1H3
InChIKeyBAKSDPIZHNJNFX-UHFFFAOYSA-N
MW353.31 g/mol
LogP4.62
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine

1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine (PubChem CID 115380744) has the molecular formula C14H13BrN2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
PubChem CID115380744
Molecular FormulaC14H13BrN2S2
Molecular Weight353.31 g/mol
Exact Mass351.97
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)c1nc2ccccc2s1
InChIInChI=1S/C14H13BrN2S2/c1-16-11(8-13-9(15)6-7-18-13)14-17-10-4-2-3-5-12(10)19-14/h2-7,11,16H,8H2,1H3
InChIKeyBAKSDPIZHNJNFX-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzothiazol-2-yl)-2-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 105407858
1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 43314691
1-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 43314686
1-(1,3-benzothiazol-2-yl)-N-methyl-2-(3-methylimidazol-4-yl)ethanamine
CID 66118071
2-(1,3-benzothiazol-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 80537919
1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 43314618
2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62600319
2-(1,3-benzothiazol-2-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107976569
1-(1,3-benzothiazol-2-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 115990314
2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105139399
2-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105139432
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790070

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine (CID 115380744) is 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine is CNC(Cc1sccc1Br)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine?
The InChIKey is BAKSDPIZHNJNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2S2/c1-16-11(8-13-9(15)6-7-18-13)14-17-10-4-2-3-5-12(10)19-14/h2-7,11,16H,8H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine?
1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine has a molecular weight of 353.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115380744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).