N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide

C19H16ClN3O3S — CID 9315889

IUPACN-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C\c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClN3O3S/c1-25-16-6-8-17(9-7-16)26-11-18(24)23-21-10-15-12-27-19(22-15)13-2-4-14(20)5-3-13/h2-10,12H,11H2,1H3,(H,23,24)/b21-10-
InChIKeyDKXINFLDPCDQLT-FBHDLOMBSA-N
MW401.88 g/mol
LogP4.00
Rot. Bonds7

About N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide

N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 9315889) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
PubChem CID9315889
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C\c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClN3O3S/c1-25-16-6-8-17(9-7-16)26-11-18(24)23-21-10-15-12-27-19(22-15)13-2-4-14(20)5-3-13/h2-10,12H,11H2,1H3,(H,23,24)/b21-10-
InChIKeyDKXINFLDPCDQLT-FBHDLOMBSA-N
XLogP4.00
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.00
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175195
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518693
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126193694
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
2-(4-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 136807840
2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 4176450
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
CID 9060397
2-(4-chlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898643
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6027022

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide (CID 9315889) is N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N/N=C\c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is DKXINFLDPCDQLT-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-25-16-6-8-17(9-7-16)26-11-18(24)23-21-10-15-12-27-19(22-15)13-2-4-14(20)5-3-13/h2-10,12H,11H2,1H3,(H,23,24)/b21-10-.
What are the key properties of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide?
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 401.88 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 9315889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).