1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine

C8H10BrN5S — CID 103086610

IUPAC1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1Cc1sccc1Br
InChIInChI=1S/C8H10BrN5S/c1-5(10)8-11-12-13-14(8)4-7-6(9)2-3-15-7/h2-3,5H,4,10H2,1H3
InChIKeyAXDUKGJJPHAZIO-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.57
Rot. Bonds3

About 1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine

1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine (PubChem CID 103086610) has the molecular formula C8H10BrN5S and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine
PubChem CID103086610
Molecular FormulaC8H10BrN5S
Molecular Weight288.17 g/mol
Exact Mass286.98
IUPAC Name1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1Cc1sccc1Br
InChIInChI=1S/C8H10BrN5S/c1-5(10)8-11-12-13-14(8)4-7-6(9)2-3-15-7/h2-3,5H,4,10H2,1H3
InChIKeyAXDUKGJJPHAZIO-UHFFFAOYSA-N
XLogP1.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole
CID 103084604
1-[(3-bromothiophen-2-yl)methyl]-4-(1-chloroethyl)triazole
CID 81448466
2-methylpropyl 1-[(3-bromothiophen-2-yl)methyl]-5-methyltriazole-4-carboxylate
CID 103112821
2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine
CID 115380251
1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyltriazol-4-amine
CID 79547319
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine
CID 63095648
N-[[1-[(3-bromothiophen-2-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66193266
4-[5-(3-bromothiophen-2-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541512
4-(bromomethyl)-1-[(3-bromothiophen-2-yl)methyl]triazole
CID 62400291
1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
CID 103086687
(1S)-1-[4-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 78932867
1-[(3-bromothiophen-2-yl)methyl]-5-phenyltriazole-4-carboxylic acid
CID 102642531

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine (CID 103086610) is 1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine is CC(N)c1nnnn1Cc1sccc1Br.
What is the InChIKey of 1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine?
The InChIKey is AXDUKGJJPHAZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5S/c1-5(10)8-11-12-13-14(8)4-7-6(9)2-3-15-7/h2-3,5H,4,10H2,1H3.
What are the key properties of 1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine?
1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine has a molecular weight of 288.17 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).