N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide

C18H14ClN3O3S — CID 1498090

IUPACN-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide
SMILESO=C(NN=c1scc(-c2ccc(O)cc2)n1C(=O)CCl)c1ccccc1
InChIInChI=1S/C18H14ClN3O3S/c19-10-16(24)22-15(12-6-8-14(23)9-7-12)11-26-18(22)21-20-17(25)13-4-2-1-3-5-13/h1-9,11,23H,10H2,(H,20,25)
InChIKeyQMTKWVONYDSUCY-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.05
Rot. Bonds4

About N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide

N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide (PubChem CID 1498090) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide
PubChem CID1498090
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC NameN-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide
SMILESO=C(NN=c1scc(-c2ccc(O)cc2)n1C(=O)CCl)c1ccccc1
InChIInChI=1S/C18H14ClN3O3S/c19-10-16(24)22-15(12-6-8-14(23)9-7-12)11-26-18(22)21-20-17(25)13-4-2-1-3-5-13/h1-9,11,23H,10H2,(H,20,25)
InChIKeyQMTKWVONYDSUCY-UHFFFAOYSA-N
XLogP3.05
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide 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

N-[[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzamide
CID 1498089
N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide
CID 6245045
N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide
CID 1498013
N-[(E)-[4-(4-chlorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-methylbenzamide
CID 98212283
4-bromo-N-[(E)-[4-(4-bromophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzamide;hydrobromide
CID 66557607
N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide
CID 21178765
N-(1,3-dichloropropan-2-ylideneamino)-4-hydroxybenzamide
CID 46741789
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N-[(E)-[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]furan-2-carboxamide
CID 10315697
N-[(Z)-[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-nitrobenzamide
CID 44724074
4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 137295298

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide?
The IUPAC name of N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide (CID 1498090) is N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide.
What is the SMILES notation for N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide?
The canonical SMILES for N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide is O=C(NN=c1scc(-c2ccc(O)cc2)n1C(=O)CCl)c1ccccc1.
What is the InChIKey of N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide?
The InChIKey is QMTKWVONYDSUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-10-16(24)22-15(12-6-8-14(23)9-7-12)11-26-18(22)21-20-17(25)13-4-2-1-3-5-13/h1-9,11,23H,10H2,(H,20,25).
What are the key properties of N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide?
N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide has a molecular weight of 387.85 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide is sourced from PubChem (CID 1498090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).