N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

C19H15ClN2O3S — CID 5107404

IUPACN-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)C(=Cc2ccccc2OCc2cccc(Cl)c2)S1
InChIInChI=1S/C19H15ClN2O3S/c1-12(23)21-19-22-18(24)17(26-19)10-14-6-2-3-8-16(14)25-11-13-5-4-7-15(20)9-13/h2-10H,11H2,1H3,(H,21,22,23,24)
InChIKeyMQOSNWHGQLHJQD-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.03
Rot. Bonds4

About N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (PubChem CID 5107404) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
PubChem CID5107404
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)C(=Cc2ccccc2OCc2cccc(Cl)c2)S1
InChIInChI=1S/C19H15ClN2O3S/c1-12(23)21-19-22-18(24)17(26-19)10-14-6-2-3-8-16(14)25-11-13-5-4-7-15(20)9-13/h2-10H,11H2,1H3,(H,21,22,23,24)
InChIKeyMQOSNWHGQLHJQD-UHFFFAOYSA-N
XLogP4.03
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1227524
N-[(5E)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 6281946
N-[(5E)-5-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 126090300
N-(5-chloro-2-methylphenyl)-2-[(5E)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126281101
N-[5-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 3424747
3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3974283
N-(3-chlorophenyl)-2-[(5E)-2,4-dioxo-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126165729
N-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2879089
N-[(5Z)-5-[(3-chloro-4-propoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 126032266
N-[5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1326514
N-[5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1253742
N-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-2-phenylacetamide
CID 163199645

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (CID 5107404) is N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is CC(=O)NC1=NC(=O)C(=Cc2ccccc2OCc2cccc(Cl)c2)S1.
What is the InChIKey of N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The InChIKey is MQOSNWHGQLHJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-12(23)21-19-22-18(24)17(26-19)10-14-6-2-3-8-16(14)25-11-13-5-4-7-15(20)9-13/h2-10H,11H2,1H3,(H,21,22,23,24).
What are the key properties of N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.86 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5107404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).