2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

C18H18N4O2S — CID 7240387

IUPAC2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc2ccccc2c1/C=N/NC(=O)c1sc(N)nc1C
InChIInChI=1S/C18H18N4O2S/c1-3-24-15-9-8-12-6-4-5-7-13(12)14(15)10-20-22-17(23)16-11(2)21-18(19)25-16/h4-10H,3H2,1-2H3,(H2,19,21)(H,22,23)/b20-10+
InChIKeySEOOBBMPPHYYLM-KEBDBYFISA-N
MW354.44 g/mol
LogP3.35
Rot. Bonds5

About 2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 7240387) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID7240387
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc2ccccc2c1/C=N/NC(=O)c1sc(N)nc1C
InChIInChI=1S/C18H18N4O2S/c1-3-24-15-9-8-12-6-4-5-7-13(12)14(15)10-20-22-17(23)16-11(2)21-18(19)25-16/h4-10H,3H2,1-2H3,(H2,19,21)(H,22,23)/b20-10+
InChIKeySEOOBBMPPHYYLM-KEBDBYFISA-N
XLogP3.35
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.35
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

2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510201
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9359476
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
CID 110505987
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide
CID 6872223
2-amino-N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510273
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9463146
1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
CID 926829
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397757
N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 3309673
2-amino-N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510256
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8932141

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 7240387) is 2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is CCOc1ccc2ccccc2c1/C=N/NC(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SEOOBBMPPHYYLM-KEBDBYFISA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-3-24-15-9-8-12-6-4-5-7-13(12)14(15)10-20-22-17(23)16-11(2)21-18(19)25-16/h4-10H,3H2,1-2H3,(H2,19,21)(H,22,23)/b20-10+.
What are the key properties of 2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 7240387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).