N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide

C17H13ClN4O2S — CID 135730529

IUPACN-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccccc1O
InChIInChI=1S/C17H13ClN4O2S/c18-15-14(25-17(21-15)20-11-6-2-1-3-7-11)10-19-22-16(24)12-8-4-5-9-13(12)23/h1-10,23H,(H,20,21)(H,22,24)/b19-10+
InChIKeyHQAPYDFIJIHLQX-VXLYETTFSA-N
MW372.84 g/mol
LogP4.01
Rot. Bonds5

About N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide (PubChem CID 135730529) has the molecular formula C17H13ClN4O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide
PubChem CID135730529
Molecular FormulaC17H13ClN4O2S
Molecular Weight372.84 g/mol
Exact Mass372.04
IUPAC NameN-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccccc1O
InChIInChI=1S/C17H13ClN4O2S/c18-15-14(25-17(21-15)20-11-6-2-1-3-7-11)10-19-22-16(24)12-8-4-5-9-13(12)23/h1-10,23H,(H,20,21)(H,22,24)/b19-10+
InChIKeyHQAPYDFIJIHLQX-VXLYETTFSA-N
XLogP4.01
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide 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-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide
CID 135730941
1-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-3-propan-2-ylthiourea
CID 135612521
N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 135763398
1-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-3-(3-ethoxypropyl)thiourea
CID 135817730
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 135795602
N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
CID 135795534
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide
CID 135795600
N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide
CID 135575856
2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide
CID 135576830
ethyl 2-[4-chloro-5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 7424813
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide (CID 135730529) is N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccccc1O.
What is the InChIKey of N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is HQAPYDFIJIHLQX-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13ClN4O2S/c18-15-14(25-17(21-15)20-11-6-2-1-3-7-11)10-19-22-16(24)12-8-4-5-9-13(12)23/h1-10,23H,(H,20,21)(H,22,24)/b19-10+.
What are the key properties of N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 372.84 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135730529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).