N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide

C20H19ClN4O2S — CID 135795600

IUPACN-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)N/N=C/c2sc(Nc3ccccc3OC)nc2Cl)cc1
InChIInChI=1S/C20H19ClN4O2S/c1-3-13-8-10-14(11-9-13)19(26)25-22-12-17-18(21)24-20(28-17)23-15-6-4-5-7-16(15)27-2/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)/b22-12+
InChIKeyBKMCALPXBXJYDJ-WSDLNYQXSA-N
MW414.92 g/mol
LogP4.88
Rot. Bonds7

About N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide

N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide (PubChem CID 135795600) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide
PubChem CID135795600
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC NameN-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)N/N=C/c2sc(Nc3ccccc3OC)nc2Cl)cc1
InChIInChI=1S/C20H19ClN4O2S/c1-3-13-8-10-14(11-9-13)19(26)25-22-12-17-18(21)24-20(28-17)23-15-6-4-5-7-16(15)27-2/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)/b22-12+
InChIKeyBKMCALPXBXJYDJ-WSDLNYQXSA-N
XLogP4.88
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 54.88
H-Bond Donors ≤ 52
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-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 135795602
tert-butyl N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]carbamate
CID 135795523
4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine
CID 135795531
N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
CID 135795534
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide
CID 9231597
4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3877402
N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 135763398
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354
2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide
CID 135730941
1-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-3-(3-ethoxypropyl)thiourea
CID 135817730
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9217513
4-chloro-N-[(E)-[5-chloro-2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 124552187

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide?
The IUPAC name of N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide (CID 135795600) is N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide.
What is the SMILES notation for N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide?
The canonical SMILES for N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide is CCc1ccc(C(=O)N/N=C/c2sc(Nc3ccccc3OC)nc2Cl)cc1.
What is the InChIKey of N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide?
The InChIKey is BKMCALPXBXJYDJ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-3-13-8-10-14(11-9-13)19(26)25-22-12-17-18(21)24-20(28-17)23-15-6-4-5-7-16(15)27-2/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)/b22-12+.
What are the key properties of N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide?
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide has a molecular weight of 414.92 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide is sourced from PubChem (CID 135795600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).