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

C15H16N4OS2 — CID 70036166

IUPAC[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol
SMILESCCc1cc2c(NN=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/h4-6,8,20H,3,7H2,1-2H3,(H,16,17,19)
InChIKeySJZLGLQIPUTKKV-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.56
Rot. Bonds5

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

[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol (PubChem CID 70036166) 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)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol
PubChem CID70036166
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol
SMILESCCc1cc2c(NN=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/h4-6,8,20H,3,7H2,1-2H3,(H,16,17,19)
InChIKeySJZLGLQIPUTKKV-UHFFFAOYSA-N
XLogP3.56
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol?
The IUPAC name of [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol (CID 70036166) is [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol.
What is the SMILES notation for [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol?
The canonical SMILES for [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol is CCc1cc2c(NN=Cc3sc(CO)cc3C)ncnc2s1.
What is the InChIKey of [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol?
The InChIKey is SJZLGLQIPUTKKV-UHFFFAOYSA-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/h4-6,8,20H,3,7H2,1-2H3,(H,16,17,19).
What are the key properties of [5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol?
[5-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol has a molecular weight of 332.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 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)hydrazinylidene]methyl]-4-methylthiophen-2-yl]methanol is sourced from PubChem (CID 70036166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).