2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

C15H14N4OS — CID 135498054

IUPAC2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1sc2ncnc(N/N=C/c3ccccc3O)c2c1C
InChIInChI=1S/C15H14N4OS/c1-9-10(2)21-15-13(9)14(16-8-17-15)19-18-7-11-5-3-4-6-12(11)20/h3-8,20H,1-2H3,(H,16,17,19)/b18-7+
InChIKeyGUXSDTCRRCSSAE-CNHKJKLMSA-N
MW298.37 g/mol
LogP3.46
Rot. Bonds3

About 2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135498054) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135498054
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCc1sc2ncnc(N/N=C/c3ccccc3O)c2c1C
InChIInChI=1S/C15H14N4OS/c1-9-10(2)21-15-13(9)14(16-8-17-15)19-18-7-11-5-3-4-6-12(11)20/h3-8,20H,1-2H3,(H,16,17,19)/b18-7+
InChIKeyGUXSDTCRRCSSAE-CNHKJKLMSA-N
XLogP3.46
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[(3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136238817
4-[(E)-[(3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136238818
4-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
CID 9635544
4-[2-[(5-Methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 23632056
2-Methoxy-6-((2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazineylidene)methyl)phenol
CID 135476824
(E)-1-((2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazono)methyl)naphthalen-2-ol
CID 135532991
3-{(E)-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 9624764
4-{(E)-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 135521501
2-[(E)-C-methyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)carbonimidoyl]benzene-1,4-diol
CID 135715987
2-[(Z)-N-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol
CID 137290293
2-[(Z)-N-[(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methylcarbonimidoyl]benzene-1,4-diol
CID 137303107
2-[(Z)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol
CID 137304394

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135498054) is 2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is Cc1sc2ncnc(N/N=C/c3ccccc3O)c2c1C.
What is the InChIKey of 2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is GUXSDTCRRCSSAE-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-10(2)21-15-13(9)14(16-8-17-15)19-18-7-11-5-3-4-6-12(11)20/h3-8,20H,1-2H3,(H,16,17,19)/b18-7+.
What are the key properties of 2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 298.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135498054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).