4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol

C15H13N3OS — CID 135537572

IUPAC4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
SMILESCn1/c(=N\N=C/c2ccc(O)cc2)sc2ccccc21
InChIInChI=1S/C15H13N3OS/c1-18-13-4-2-3-5-14(13)20-15(18)17-16-10-11-6-8-12(19)9-7-11/h2-10,19H,1H3/b16-10-,17-15+
InChIKeyONAVVGHPKWACPG-DLTLIZDRSA-N
MW283.36 g/mol
LogP2.88
Rot. Bonds2

About 4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol

4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol (PubChem CID 135537572) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
PubChem CID135537572
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
SMILESCn1/c(=N\N=C/c2ccc(O)cc2)sc2ccccc21
InChIInChI=1S/C15H13N3OS/c1-18-13-4-2-3-5-14(13)20-15(18)17-16-10-11-6-8-12(19)9-7-11/h2-10,19H,1H3/b16-10-,17-15+
InChIKeyONAVVGHPKWACPG-DLTLIZDRSA-N
XLogP2.88
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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 4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol (CID 135537572) is 4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol is Cn1/c(=N\N=C/c2ccc(O)cc2)sc2ccccc21.
What is the InChIKey of 4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The InChIKey is ONAVVGHPKWACPG-DLTLIZDRSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-18-13-4-2-3-5-14(13)20-15(18)17-16-10-11-6-8-12(19)9-7-11/h2-10,19H,1H3/b16-10-,17-15+.
What are the key properties of 4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol?
4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol has a molecular weight of 283.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135537572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).