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

C20H22N4O2S — CID 110341396

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCCCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1csc(N)n1
InChIInChI=1S/C20H22N4O2S/c1-2-3-10-26-18-9-8-14-6-4-5-7-16(14)17(18)12-22-24-19(25)11-15-13-27-20(21)23-15/h4-9,12-13H,2-3,10-11H2,1H3,(H2,21,23)(H,24,25)/b22-12+
InChIKeyMGALJHKSRGQYJG-WSDLNYQXSA-N
MW382.49 g/mol
LogP3.75
Rot. Bonds8

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

2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 110341396) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID110341396
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCCCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1csc(N)n1
InChIInChI=1S/C20H22N4O2S/c1-2-3-10-26-18-9-8-14-6-4-5-7-16(14)17(18)12-22-24-19(25)11-15-13-27-20(21)23-15/h4-9,12-13H,2-3,10-11H2,1H3,(H2,21,23)(H,24,25)/b22-12+
InChIKeyMGALJHKSRGQYJG-WSDLNYQXSA-N
XLogP3.75
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(E)-(2-butoxyphenyl)methylideneamino]acetamide
CID 110338471
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 110339962
2-(4-methoxyphenyl)-N-[(E)-(2-propoxynaphthalen-1-yl)methylideneamino]acetamide
CID 21370849
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5151939
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3455562
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3990640
2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110338974
N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide
CID 9120788
ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624747
N-[3-[2-[(2-butoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4588137
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 5414413
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3968962

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide (CID 110341396) is 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide is CCCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is MGALJHKSRGQYJG-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-3-10-26-18-9-8-14-6-4-5-7-16(14)17(18)12-22-24-19(25)11-15-13-27-20(21)23-15/h4-9,12-13H,2-3,10-11H2,1H3,(H2,21,23)(H,24,25)/b22-12+.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 110341396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).