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

C19H13BrN4OS — CID 135651752

IUPAC4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H13BrN4OS/c20-14-6-7-16(25)13(8-14)9-23-24-18-17-15(12-4-2-1-3-5-12)10-26-19(17)22-11-21-18/h1-11,25H,(H,21,22,24)/b23-9+
InChIKeyKEICPTUDLMCUBO-NUGSKGIGSA-N
MW425.31 g/mol
LogP5.27
Rot. Bonds4

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

4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135651752) has the molecular formula C19H13BrN4OS and a molecular weight of 425.31 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135651752
Molecular FormulaC19H13BrN4OS
Molecular Weight425.31 g/mol
Exact Mass424.00
IUPAC Name4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H13BrN4OS/c20-14-6-7-16(25)13(8-14)9-23-24-18-17-15(12-4-2-1-3-5-12)10-26-19(17)22-11-21-18/h1-11,25H,(H,21,22,24)/b23-9+
InChIKeyKEICPTUDLMCUBO-NUGSKGIGSA-N
XLogP5.27
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.31
LogP ≤ 55.27
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-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3640732
4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 136919083
4-nitro-2-[(Z)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenolate
CID 7735261
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 10522535
N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3332290
N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 21010054
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 135651634
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
N-[(E)-2H-chromen-3-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 6886819
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 135651619
4-bromo-2-[(E)-[[4-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135509570
4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 136816742

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135651752) is 4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is Oc1ccc(Br)cc1/C=N/Nc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is KEICPTUDLMCUBO-NUGSKGIGSA-N. The full InChI is InChI=1S/C19H13BrN4OS/c20-14-6-7-16(25)13(8-14)9-23-24-18-17-15(12-4-2-1-3-5-12)10-26-19(17)22-11-21-18/h1-11,25H,(H,21,22,24)/b23-9+.
What are the key properties of 4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 425.31 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135651752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).