[5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide

C11H12BrNO2S — CID 72716722

IUPAC[5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide
SMILESBr.NCCc1ccc(C(=O)c2ccoc2)s1
InChIInChI=1S/C11H11NO2S.BrH/c12-5-3-9-1-2-10(15-9)11(13)8-4-6-14-7-8;/h1-2,4,6-7H,3,5,12H2;1H
InChIKeyFGIAVQDNSRJJIA-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.65
Rot. Bonds4

About [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide

[5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide (PubChem CID 72716722) has the molecular formula C11H12BrNO2S and a molecular weight of 302.19 g/mol. Its IUPAC name is [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide.

Molecular Properties

Compound Name[5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide
PubChem CID72716722
Molecular FormulaC11H12BrNO2S
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name[5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide
SMILESBr.NCCc1ccc(C(=O)c2ccoc2)s1
InChIInChI=1S/C11H11NO2S.BrH/c12-5-3-9-1-2-10(15-9)11(13)8-4-6-14-7-8;/h1-2,4,6-7H,3,5,12H2;1H
InChIKeyFGIAVQDNSRJJIA-UHFFFAOYSA-N
XLogP2.65
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide 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

[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide
CID 72716719
[5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide
CID 72716721
1-benzothiophen-2-yl(furan-3-yl)methanone
CID 71739499
(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
CID 102826466
tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride
CID 67398215
2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine
CID 170868986
N-(2-aminoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 61350095
2-(furan-3-carbonyl)benzohydrazide
CID 141007564
(2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone
CID 43463819
2-(5-benzoylthiophen-2-yl)acetic acid
CID 3751763
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide
CID 107493245
furan-3-carboxylic acid;dihydrochloride
CID 141114987

Frequently Asked Questions

What is the IUPAC name of [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide?
The IUPAC name of [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide (CID 72716722) is [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide.
What is the SMILES notation for [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide?
The canonical SMILES for [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide is Br.NCCc1ccc(C(=O)c2ccoc2)s1.
What is the InChIKey of [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide?
The InChIKey is FGIAVQDNSRJJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S.BrH/c12-5-3-9-1-2-10(15-9)11(13)8-4-6-14-7-8;/h1-2,4,6-7H,3,5,12H2;1H.
What are the key properties of [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide?
[5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide has a molecular weight of 302.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide is sourced from PubChem (CID 72716722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).