2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol

C10H8ClN3OS — CID 136822378

IUPAC2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N\Nc2nccs2)cc1Cl
InChIInChI=1S/C10H8ClN3OS/c11-8-5-7(1-2-9(8)15)6-13-14-10-12-3-4-16-10/h1-6,15H,(H,12,14)/b13-6-
InChIKeyFMMJCHYFTHMQCQ-MLPAPPSSSA-N
MW253.71 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol

2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (PubChem CID 136822378) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
PubChem CID136822378
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N\Nc2nccs2)cc1Cl
InChIInChI=1S/C10H8ClN3OS/c11-8-5-7(1-2-9(8)15)6-13-14-10-12-3-4-16-10/h1-6,15H,(H,12,14)/b13-6-
InChIKeyFMMJCHYFTHMQCQ-MLPAPPSSSA-N
XLogP2.95
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.95
H-Bond Donors ≤ 52
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'}

Analyze 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789383
2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135570869
2-chloro-4-[(Z)-[(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822071
2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135878036
2-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789386
N-[(2,6-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2790075
N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135781520
2-chloro-4-[(Z)-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136781777
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 99831962
2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712103
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535518

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (CID 136822378) is 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is Oc1ccc(/C=N\Nc2nccs2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is FMMJCHYFTHMQCQ-MLPAPPSSSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-8-5-7(1-2-9(8)15)6-13-14-10-12-3-4-16-10/h1-6,15H,(H,12,14)/b13-6-.
What are the key properties of 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 253.71 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 136822378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).