N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide

C19H14ClN5O2S — CID 135763398

IUPACN-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C/c1sc(Nc2ccccc2)nc1Cl
InChIInChI=1S/C19H14ClN5O2S/c20-18-16(28-19(24-18)23-14-7-2-1-3-8-14)11-22-25-17(26)12-27-15-9-5-4-6-13(15)10-21/h1-9,11H,12H2,(H,23,24)(H,25,26)/b22-11+
InChIKeyOGLKPVQDLFBYJB-SSDVNMTOSA-N
MW411.87 g/mol
LogP3.94
Rot. Bonds7

About N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide

N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide (PubChem CID 135763398) has the molecular formula C19H14ClN5O2S and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide
PubChem CID135763398
Molecular FormulaC19H14ClN5O2S
Molecular Weight411.87 g/mol
Exact Mass411.06
IUPAC NameN-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C/c1sc(Nc2ccccc2)nc1Cl
InChIInChI=1S/C19H14ClN5O2S/c20-18-16(28-19(24-18)23-14-7-2-1-3-8-14)11-22-25-17(26)12-27-15-9-5-4-6-13(15)10-21/h1-9,11H,12H2,(H,23,24)(H,25,26)/b22-11+
InChIKeyOGLKPVQDLFBYJB-SSDVNMTOSA-N
XLogP3.94
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 780706
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide
CID 135730941
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 42995743
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
1-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-3-(3-ethoxypropyl)thiourea
CID 135817730
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide (CID 135763398) is N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)N/N=C/c1sc(Nc2ccccc2)nc1Cl.
What is the InChIKey of N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide?
The InChIKey is OGLKPVQDLFBYJB-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14ClN5O2S/c20-18-16(28-19(24-18)23-14-7-2-1-3-8-14)11-22-25-17(26)12-27-15-9-5-4-6-13(15)10-21/h1-9,11H,12H2,(H,23,24)(H,25,26)/b22-11+.
What are the key properties of N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide?
N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide has a molecular weight of 411.87 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 135763398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).