N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C18H19N3O3S — CID 9030122

IUPACN-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCOc1cccc2cc(/C(C)=N\NC(=O)Cc3nc(C)cs3)oc12
InChIInChI=1S/C18H19N3O3S/c1-4-23-14-7-5-6-13-8-15(24-18(13)14)12(3)20-21-16(22)9-17-19-11(2)10-25-17/h5-8,10H,4,9H2,1-3H3,(H,21,22)/b20-12-
InChIKeyCCPRPCTYJFPTDW-NDENLUEZSA-N
MW357.44 g/mol
LogP3.68
Rot. Bonds6

About N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9030122) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9030122
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCOc1cccc2cc(/C(C)=N\NC(=O)Cc3nc(C)cs3)oc12
InChIInChI=1S/C18H19N3O3S/c1-4-23-14-7-5-6-13-8-15(24-18(13)14)12(3)20-21-16(22)9-17-19-11(2)10-25-17/h5-8,10H,4,9H2,1-3H3,(H,21,22)/b20-12-
InChIKeyCCPRPCTYJFPTDW-NDENLUEZSA-N
XLogP3.68
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.68
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)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030155
N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide
CID 9235854
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881374
(3R)-N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9237726
2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 9029885
1-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175726
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029099
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029129
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
diaminomethylidene-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]azanium
CID 9057905
N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9030122) is N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is CCOc1cccc2cc(/C(C)=N\NC(=O)Cc3nc(C)cs3)oc12.
What is the InChIKey of N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CCPRPCTYJFPTDW-NDENLUEZSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-23-14-7-5-6-13-8-15(24-18(13)14)12(3)20-21-16(22)9-17-19-11(2)10-25-17/h5-8,10H,4,9H2,1-3H3,(H,21,22)/b20-12-.
What are the key properties of N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9030122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).