4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine

C15H13N3OS — CID 15462242

IUPAC4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
SMILESCc1cc(-c2nc3c4ccsc4ccn3c2N)c(C)o1
InChIInChI=1S/C15H13N3OS/c1-8-7-11(9(2)19-8)13-14(16)18-5-3-12-10(4-6-20-12)15(18)17-13/h3-7H,16H2,1-2H3
InChIKeyHWPXFMXFVBZPEY-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.01
Rot. Bonds1

About 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine

4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine (PubChem CID 15462242) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
PubChem CID15462242
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
SMILESCc1cc(-c2nc3c4ccsc4ccn3c2N)c(C)o1
InChIInChI=1S/C15H13N3OS/c1-8-7-11(9(2)19-8)13-14(16)18-5-3-12-10(4-6-20-12)15(18)17-13/h3-7H,16H2,1-2H3
InChIKeyHWPXFMXFVBZPEY-UHFFFAOYSA-N
XLogP4.01
TPSA56.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine?
The IUPAC name of 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine (CID 15462242) is 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine?
The canonical SMILES for 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine is Cc1cc(-c2nc3c4ccsc4ccn3c2N)c(C)o1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine?
The InChIKey is HWPXFMXFVBZPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-8-7-11(9(2)19-8)13-14(16)18-5-3-12-10(4-6-20-12)15(18)17-13/h3-7H,16H2,1-2H3.
What are the key properties of 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine?
4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine has a molecular weight of 283.36 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine is sourced from PubChem (CID 15462242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).