1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine

C8H8BrN3S2 — CID 105172947

IUPAC1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnsn1)c1sccc1Br
InChIInChI=1S/C8H8BrN3S2/c1-10-7(6-4-11-14-12-6)8-5(9)2-3-13-8/h2-4,7,10H,1H3
InChIKeyHJABEANTKIYSKB-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.67
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine

1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105172947) has the molecular formula C8H8BrN3S2 and a molecular weight of 290.21 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105172947
Molecular FormulaC8H8BrN3S2
Molecular Weight290.21 g/mol
Exact Mass288.93
IUPAC Name1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnsn1)c1sccc1Br
InChIInChI=1S/C8H8BrN3S2/c1-10-7(6-4-11-14-12-6)8-5(9)2-3-13-8/h2-4,7,10H,1H3
InChIKeyHJABEANTKIYSKB-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine 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

N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102840364
2-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105139432
1-(3-bromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107976806
1-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105173140
1-(3-bromothiophen-2-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025777
1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105173067
2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090888
1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105120137
1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877700
1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105145535
1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63798443
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80530701

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine (CID 105172947) is 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine is CNC(c1cnsn1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is HJABEANTKIYSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S2/c1-10-7(6-4-11-14-12-6)8-5(9)2-3-13-8/h2-4,7,10H,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 290.21 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105172947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).