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

C11H12BrNO2S — CID 72716721

IUPAC[5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide
SMILESBr.NCCc1ccc(C(=O)c2ccco2)s1
InChIInChI=1S/C11H11NO2S.BrH/c12-6-5-8-3-4-10(15-8)11(13)9-2-1-7-14-9;/h1-4,7H,5-6,12H2;1H
InChIKeyKLVDRZUJFQWJPG-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.65
Rot. Bonds4

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

[5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide (PubChem CID 72716721) 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-2-yl)methanone;hydrobromide.

Molecular Properties

Compound Name[5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide
PubChem CID72716721
Molecular FormulaC11H12BrNO2S
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name[5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide
SMILESBr.NCCc1ccc(C(=O)c2ccco2)s1
InChIInChI=1S/C11H11NO2S.BrH/c12-6-5-8-3-4-10(15-8)11(13)9-2-1-7-14-9;/h1-4,7H,5-6,12H2;1H
InChIKeyKLVDRZUJFQWJPG-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

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Related Compounds

[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide
CID 72716719
[5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide
CID 72716722
2,6-difluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717493
4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612294
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90612463
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 90612110
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90612194
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
CID 90612120
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 90612127
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 90612104

Frequently Asked Questions

What is the IUPAC name of [5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide?
The IUPAC name of [5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide (CID 72716721) is [5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide.
What is the SMILES notation for [5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide?
The canonical SMILES for [5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide is Br.NCCc1ccc(C(=O)c2ccco2)s1.
What is the InChIKey of [5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide?
The InChIKey is KLVDRZUJFQWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S.BrH/c12-6-5-8-3-4-10(15-8)11(13)9-2-1-7-14-9;/h1-4,7H,5-6,12H2;1H.
What are the key properties of [5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide?
[5-(2-aminoethyl)thiophen-2-yl]-(furan-2-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-2-yl)methanone;hydrobromide is sourced from PubChem (CID 72716721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).