2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

C15H12N2O3S — CID 23798784

IUPAC2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILESCc1cc2c(c(=O)o1)C(c1ccc(C)s1)C(C#N)=C(N)O2
InChIInChI=1S/C15H12N2O3S/c1-7-5-10-13(15(18)19-7)12(9(6-16)14(17)20-10)11-4-3-8(2)21-11/h3-5,12H,17H2,1-2H3
InChIKeyHWWLJKDYASWXLO-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.54
Rot. Bonds1

About 2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile (PubChem CID 23798784) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
PubChem CID23798784
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILESCc1cc2c(c(=O)o1)C(c1ccc(C)s1)C(C#N)=C(N)O2
InChIInChI=1S/C15H12N2O3S/c1-7-5-10-13(15(18)19-7)12(9(6-16)14(17)20-10)11-4-3-8(2)21-11/h3-5,12H,17H2,1-2H3
InChIKeyHWWLJKDYASWXLO-UHFFFAOYSA-N
XLogP2.54
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile (CID 23798784) is 2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile is Cc1cc2c(c(=O)o1)C(c1ccc(C)s1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The InChIKey is HWWLJKDYASWXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-7-5-10-13(15(18)19-7)12(9(6-16)14(17)20-10)11-4-3-8(2)21-11/h3-5,12H,17H2,1-2H3.
What are the key properties of 2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile has a molecular weight of 300.34 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile is sourced from PubChem (CID 23798784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).