(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine

C10H10BrNOS — CID 130747012

IUPAC(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2coc(Br)c2)cs1
InChIInChI=1S/C10H10BrNOS/c1-6-2-8(5-14-6)10(12)7-3-9(11)13-4-7/h2-5,10H,12H2,1H3
InChIKeySQQYKZSGTBUIOA-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.46
Rot. Bonds2

About (5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine

(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine (PubChem CID 130747012) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is (5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine
PubChem CID130747012
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2coc(Br)c2)cs1
InChIInChI=1S/C10H10BrNOS/c1-6-2-8(5-14-6)10(12)7-3-9(11)13-4-7/h2-5,10H,12H2,1H3
InChIKeySQQYKZSGTBUIOA-UHFFFAOYSA-N
XLogP3.46
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 114330142
(4-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65105046
(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 65105067
(4-bromothiophen-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130993276
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 130731435
(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
(5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine
CID 130855940
(2-methyl-1,3-thiazol-4-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155571
(2-methylpyrazol-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155652
1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65105009

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of (5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine (CID 130747012) is (5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for (5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine is Cc1cc(C(N)c2coc(Br)c2)cs1.
What is the InChIKey of (5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine?
The InChIKey is SQQYKZSGTBUIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-6-2-8(5-14-6)10(12)7-3-9(11)13-4-7/h2-5,10H,12H2,1H3.
What are the key properties of (5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine?
(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine has a molecular weight of 272.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 130747012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).