2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine

C9H10BrN3S2 — CID 105139402

IUPAC2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1sccc1Br)c1csnn1
InChIInChI=1S/C9H10BrN3S2/c1-11-7(8-5-15-13-12-8)4-9-6(10)2-3-14-9/h2-3,5,7,11H,4H2,1H3
InChIKeyHFQXUUNYWKLRQQ-UHFFFAOYSA-N
MW304.24 g/mol
LogP2.87
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine

2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105139402) has the molecular formula C9H10BrN3S2 and a molecular weight of 304.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID105139402
Molecular FormulaC9H10BrN3S2
Molecular Weight304.24 g/mol
Exact Mass302.95
IUPAC Name2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1sccc1Br)c1csnn1
InChIInChI=1S/C9H10BrN3S2/c1-11-7(8-5-15-13-12-8)4-9-6(10)2-3-14-9/h2-3,5,7,11H,4H2,1H3
InChIKeyHFQXUUNYWKLRQQ-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-methylphenyl)ethanamine
CID 62600319
N-methyl-2-pyridin-4-yl-1-(thiadiazol-4-yl)ethanamine
CID 105160535
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylethanamine
CID 105139467
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105150939
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105135916
N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105091515
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105158940
2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105109451
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
2-(furan-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105177550
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755175

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (CID 105139402) is 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is CNC(Cc1sccc1Br)c1csnn1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is HFQXUUNYWKLRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S2/c1-11-7(8-5-15-13-12-8)4-9-6(10)2-3-14-9/h2-3,5,7,11H,4H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 304.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105139402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).