N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C20H18ClN3O2S — CID 110338558

IUPACN-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)s1
InChIInChI=1S/C20H18ClN3O2S/c1-13-19(27-14(2)23-13)20(25)24-22-11-15-7-4-6-10-18(15)26-12-16-8-3-5-9-17(16)21/h3-11H,12H2,1-2H3,(H,24,25)/b22-11+
InChIKeyOOFMHACGZYUTIQ-SSDVNMTOSA-N
MW399.90 g/mol
LogP4.76
Rot. Bonds6

About N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 110338558) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID110338558
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)s1
InChIInChI=1S/C20H18ClN3O2S/c1-13-19(27-14(2)23-13)20(25)24-22-11-15-7-4-6-10-18(15)26-12-16-8-3-5-9-17(16)21/h3-11H,12H2,1-2H3,(H,24,25)/b22-11+
InChIKeyOOFMHACGZYUTIQ-SSDVNMTOSA-N
XLogP4.76
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.76
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 5214924
2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146902
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5016843
N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110336923
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110337125
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 136727629
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110340632
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 4005945
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110339735
4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 110338438

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 110338558) is N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)s1.
What is the InChIKey of N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OOFMHACGZYUTIQ-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-13-19(27-14(2)23-13)20(25)24-22-11-15-7-4-6-10-18(15)26-12-16-8-3-5-9-17(16)21/h3-11H,12H2,1-2H3,(H,24,25)/b22-11+.
What are the key properties of N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 399.90 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110338558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).