N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C14H13Cl2N3O2S — CID 135821378

IUPACN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1csc(C)n1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H13Cl2N3O2S/c1-7(11-3-9(15)4-12(16)14(11)21)18-19-13(20)5-10-6-22-8(2)17-10/h3-4,6,21H,5H2,1-2H3,(H,19,20)/b18-7+
InChIKeyFAZFAKIAGLAJSC-CNHKJKLMSA-N
MW358.25 g/mol
LogP3.55
Rot. Bonds4

About N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 135821378) has the molecular formula C14H13Cl2N3O2S and a molecular weight of 358.25 g/mol. Its IUPAC name is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID135821378
Molecular FormulaC14H13Cl2N3O2S
Molecular Weight358.25 g/mol
Exact Mass357.01
IUPAC NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1csc(C)n1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H13Cl2N3O2S/c1-7(11-3-9(15)4-12(16)14(11)21)18-19-13(20)5-10-6-22-8(2)17-10/h3-4,6,21H,5H2,1-2H3,(H,19,20)/b18-7+
InChIKeyFAZFAKIAGLAJSC-CNHKJKLMSA-N
XLogP3.55
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811310
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135716717
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135582457
N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9464064
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4258714
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029099
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 78583999
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 137138457
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 135612298
(2,4,6-trichlorophenyl) 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55335110

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 135821378) is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is C/C(=N\NC(=O)Cc1csc(C)n1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FAZFAKIAGLAJSC-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2S/c1-7(11-3-9(15)4-12(16)14(11)21)18-19-13(20)5-10-6-22-8(2)17-10/h3-4,6,21H,5H2,1-2H3,(H,19,20)/b18-7+.
What are the key properties of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 358.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 135821378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).