N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C19H19N3O2S — CID 9029129

IUPACN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)Cc3nc(C)cs3)ccc2c1
InChIInChI=1S/C19H19N3O2S/c1-12-11-25-19(20-12)10-18(23)22-21-13(2)14-4-5-16-9-17(24-3)7-6-15(16)8-14/h4-9,11H,10H2,1-3H3,(H,22,23)/b21-13-
InChIKeyZFWSCTLONRBVLX-BKUYFWCQSA-N
MW353.45 g/mol
LogP3.70
Rot. Bonds5

About N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9029129) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9029129
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)Cc3nc(C)cs3)ccc2c1
InChIInChI=1S/C19H19N3O2S/c1-12-11-25-19(20-12)10-18(23)22-21-13(2)14-4-5-16-9-17(24-3)7-6-15(16)8-14/h4-9,11H,10H2,1-3H3,(H,22,23)/b21-13-
InChIKeyZFWSCTLONRBVLX-BKUYFWCQSA-N
XLogP3.70
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.70
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-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029761
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9028724
2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 9029885
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029766
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029099
2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-[4-(propylsulfamoyl)phenyl]ethylideneamino]acetamide
CID 9030044
N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030019
N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030155
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030305
ethyl 2,4-dimethyl-5-[(E)-C-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]carbonimidoyl]-1H-pyrrole-3-carboxylate
CID 135771258

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9029129) is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc2cc(/C(C)=N\NC(=O)Cc3nc(C)cs3)ccc2c1.
What is the InChIKey of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZFWSCTLONRBVLX-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-11-25-19(20-12)10-18(23)22-21-13(2)14-4-5-16-9-17(24-3)7-6-15(16)8-14/h4-9,11H,10H2,1-3H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9029129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).