6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol

C19H18N6O2S — CID 135520310

IUPAC6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
SMILESCCOc1ccccc1-c1sc2c(N/N=C/c3nc[nH]c3C)ncnc2c1O
InChIInChI=1S/C19H18N6O2S/c1-3-27-14-7-5-4-6-12(14)17-16(26)15-18(28-17)19(23-10-22-15)25-24-8-13-11(2)20-9-21-13/h4-10,26H,3H2,1-2H3,(H,20,21)(H,22,23,25)/b24-8+
InChIKeyFSXHCIRJNUIALY-KTZMUZOWSA-N
MW394.46 g/mol
LogP3.94
Rot. Bonds6

About 6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol

6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol (PubChem CID 135520310) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
PubChem CID135520310
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
SMILESCCOc1ccccc1-c1sc2c(N/N=C/c3nc[nH]c3C)ncnc2c1O
InChIInChI=1S/C19H18N6O2S/c1-3-27-14-7-5-4-6-12(14)17-16(26)15-18(28-17)19(23-10-22-15)25-24-8-13-11(2)20-9-21-13/h4-10,26H,3H2,1-2H3,(H,20,21)(H,22,23,25)/b24-8+
InChIKeyFSXHCIRJNUIALY-KTZMUZOWSA-N
XLogP3.94
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', '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

6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methylthiophen-2-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
CID 11567741
6-(2-ethoxyphenyl)-4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
CID 11711188
6-(2-ethoxyphenyl)-4-[2-(pyridin-3-ylmethylidene)hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
CID 72996873
4-[[[6-(2-ethoxyphenyl)-7-hydroxythieno[3,2-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzoic acid
CID 73033895
6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 11632774
6-(2-ethoxyphenyl)-4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 11583533
4-[(2E)-2-[(3-chloro-4-fluorophenyl)methylidene]hydrazinyl]-6-(2-ethoxyphenyl)thieno[3,2-d]pyrimidine-7-carbonitrile
CID 11712112
methyl (1Z)-N-[6-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-4-formylbenzenecarbohydrazonate
CID 11698029
6-(2-ethoxy-4-fluorophenyl)-4-hydrazinylthieno[3,2-d]pyrimidin-7-ol
CID 68895906
7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine
CID 152768332
5-[[[6-(2-ethoxyphenyl)-7-hydroxythieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-1H-pyrimidine-2,4-dione
CID 91069918
6-(2-ethoxyphenyl)-4-[(5-methylfuran-2-yl)methyldiazenyl]thieno[3,2-d]pyrimidin-7-ol
CID 91065845

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol?
The IUPAC name of 6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol (CID 135520310) is 6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol.
What is the SMILES notation for 6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol?
The canonical SMILES for 6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol is CCOc1ccccc1-c1sc2c(N/N=C/c3nc[nH]c3C)ncnc2c1O.
What is the InChIKey of 6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol?
The InChIKey is FSXHCIRJNUIALY-KTZMUZOWSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-3-27-14-7-5-4-6-12(14)17-16(26)15-18(28-17)19(23-10-22-15)25-24-8-13-11(2)20-9-21-13/h4-10,26H,3H2,1-2H3,(H,20,21)(H,22,23,25)/b24-8+.
What are the key properties of 6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol?
6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol has a molecular weight of 394.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol is sourced from PubChem (CID 135520310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).