[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol

C15H16N4OS2 — CID 90864776

IUPAC[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol
SMILESCCc1cc2c(/N=N/Cc3sc(CO)cc3C)ncnc2s1
InChIInChI=1S/C15H16N4OS2/c1-3-10-5-12-14(16-8-17-15(12)22-10)19-18-6-13-9(2)4-11(7-20)21-13/h4-5,8,20H,3,6-7H2,1-2H3/b19-18+
InChIKeyOUAFORLYJHHCLJ-VHEBQXMUSA-N
MW332.45 g/mol
LogP4.40
Rot. Bonds5

About [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol

[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol (PubChem CID 90864776) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol
PubChem CID90864776
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol
SMILESCCc1cc2c(/N=N/Cc3sc(CO)cc3C)ncnc2s1
InChIInChI=1S/C15H16N4OS2/c1-3-10-5-12-14(16-8-17-15(12)22-10)19-18-6-13-9(2)4-11(7-20)21-13/h4-5,8,20H,3,6-7H2,1-2H3/b19-18+
InChIKeyOUAFORLYJHHCLJ-VHEBQXMUSA-N
XLogP4.40
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol?
The IUPAC name of [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol (CID 90864776) is [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol.
What is the SMILES notation for [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol?
The canonical SMILES for [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol is CCc1cc2c(/N=N/Cc3sc(CO)cc3C)ncnc2s1.
What is the InChIKey of [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol?
The InChIKey is OUAFORLYJHHCLJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-3-10-5-12-14(16-8-17-15(12)22-10)19-18-6-13-9(2)4-11(7-20)21-13/h4-5,8,20H,3,6-7H2,1-2H3/b19-18+.
What are the key properties of [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol?
[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol has a molecular weight of 332.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]methyl]-4-methylthiophen-2-yl]methanol is sourced from PubChem (CID 90864776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).