(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid

C18H13Cl2N3O2S — CID 11668606

IUPAC(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid
SMILESO=C(O)/C(Cc1ccccc1)=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C18H13Cl2N3O2S/c19-13-7-6-12(9-14(13)20)16-10-26-18(21-16)23-22-15(17(24)25)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,21,23)(H,24,25)/b22-15+
InChIKeyKKDVWXLTHFPURR-PXLXIMEGSA-N
MW406.29 g/mol
LogP5.21
Rot. Bonds6

About (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid

(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid (PubChem CID 11668606) has the molecular formula C18H13Cl2N3O2S and a molecular weight of 406.29 g/mol. Its IUPAC name is (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid
PubChem CID11668606
Molecular FormulaC18H13Cl2N3O2S
Molecular Weight406.29 g/mol
Exact Mass405.01
IUPAC Name(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid
SMILESO=C(O)/C(Cc1ccccc1)=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C18H13Cl2N3O2S/c19-13-7-6-12(9-14(13)20)16-10-26-18(21-16)23-22-15(17(24)25)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,21,23)(H,24,25)/b22-15+
InChIKeyKKDVWXLTHFPURR-PXLXIMEGSA-N
XLogP5.21
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.29
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid 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

(2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid
CID 118706350
(2E)-3-(4-aminophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid
CID 118706349
(2Z)-3-azido-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid
CID 86689945
(2Z)-3-(4-bromo-2-nitrophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid
CID 118706434
2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-2-(1H-indol-3-yl)acetic acid
CID 140611605
4-(4-chlorophenyl)-N-(1,3-diphenylpropan-2-ylideneamino)-1,3-thiazol-2-amine
CID 25014803
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
3-benzyl-4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 75181330
(1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one
CID 136602565
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol
CID 59364038
methyl 2-benzyl-3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]propanoate
CID 156849633

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid?
The IUPAC name of (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid (CID 11668606) is (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid.
What is the SMILES notation for (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid?
The canonical SMILES for (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid is O=C(O)/C(Cc1ccccc1)=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid?
The InChIKey is KKDVWXLTHFPURR-PXLXIMEGSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S/c19-13-7-6-12(9-14(13)20)16-10-26-18(21-16)23-22-15(17(24)25)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,21,23)(H,24,25)/b22-15+.
What are the key properties of (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid?
(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid has a molecular weight of 406.29 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid is sourced from PubChem (CID 11668606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).