2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide

C19H26N4O3S — CID 110339962

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)Cc2csc(N)n2)cc1OCC
InChIInChI=1S/C19H26N4O3S/c1-3-5-6-9-26-16-8-7-14(10-17(16)25-4-2)12-21-23-18(24)11-15-13-27-19(20)22-15/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H2,20,22)(H,23,24)/b21-12+
InChIKeyOCNHWSJXZYFWCB-CIAFOILYSA-N
MW390.51 g/mol
LogP3.39
Rot. Bonds11

About 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide (PubChem CID 110339962) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide
PubChem CID110339962
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)Cc2csc(N)n2)cc1OCC
InChIInChI=1S/C19H26N4O3S/c1-3-5-6-9-26-16-8-7-14(10-17(16)25-4-2)12-21-23-18(24)11-15-13-27-19(20)22-15/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H2,20,22)(H,23,24)/b21-12+
InChIKeyOCNHWSJXZYFWCB-CIAFOILYSA-N
XLogP3.39
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110338974
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide
CID 110338471
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide
CID 110341396
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511360
2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 110339969
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 110337317
methyl 4-[(E)-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 110337942
N-[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515387
N-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 4617728

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide (CID 110339962) is 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide is CCCCCOc1ccc(/C=N/NC(=O)Cc2csc(N)n2)cc1OCC.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide?
The InChIKey is OCNHWSJXZYFWCB-CIAFOILYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-3-5-6-9-26-16-8-7-14(10-17(16)25-4-2)12-21-23-18(24)11-15-13-27-19(20)22-15/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H2,20,22)(H,23,24)/b21-12+.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110339962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).