(4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine

C11H13NOS — CID 130815462

IUPAC(4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine
SMILESCc1scc(C(N)c2ccoc2)c1C
InChIInChI=1S/C11H13NOS/c1-7-8(2)14-6-10(7)11(12)9-3-4-13-5-9/h3-6,11H,12H2,1-2H3
InChIKeyYKONUCZACJCJGR-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.01
Rot. Bonds2

About (4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine

(4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine (PubChem CID 130815462) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine
PubChem CID130815462
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine
SMILESCc1scc(C(N)c2ccoc2)c1C
InChIInChI=1S/C11H13NOS/c1-7-8(2)14-6-10(7)11(12)9-3-4-13-5-9/h3-6,11H,12H2,1-2H3
InChIKeyYKONUCZACJCJGR-UHFFFAOYSA-N
XLogP3.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine
CID 115855456
(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
CID 79724952
furan-3-yl-(3-methylfuran-2-yl)methanamine
CID 104804500
(3,4-dimethylphenyl)-(furan-3-yl)methanamine
CID 43464604
furan-3-ylmethanediamine
CID 54545098
(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
CID 114330324
(5-bromo-4-methylthiophen-2-yl)-(furan-3-yl)methanamine
CID 79992382
(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine
CID 43384504
furan-3-yl-(5-methyl-3-pyridinyl)methanamine
CID 115374562
1-(furan-3-yl)-2-methylpropan-1-amine
CID 63948567
(2,3-dimethylimidazol-4-yl)-(furan-3-yl)methanamine
CID 130518968
(3,5-dichlorophenyl)-(furan-3-yl)methanamine
CID 115855603

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine?
The IUPAC name of (4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine (CID 130815462) is (4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine.
What is the SMILES notation for (4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine?
The canonical SMILES for (4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine is Cc1scc(C(N)c2ccoc2)c1C.
What is the InChIKey of (4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine?
The InChIKey is YKONUCZACJCJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7-8(2)14-6-10(7)11(12)9-3-4-13-5-9/h3-6,11H,12H2,1-2H3.
What are the key properties of (4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine?
(4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine has a molecular weight of 207.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine is sourced from PubChem (CID 130815462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).