2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide

C13H15N3O2S — CID 82515896

IUPAC2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(-c2ccc(OC)c(OCC)c2)n1
InChIInChI=1S/C13H15N3O2S/c1-3-18-11-6-8(4-5-10(11)17-2)13-16-9(7-19-13)12(14)15/h4-7H,3H2,1-2H3,(H3,14,15)
InChIKeyGLMGIRJXGXYBSF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.50
Rot. Bonds5

About 2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide

2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide (PubChem CID 82515896) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound Name2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide
PubChem CID82515896
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(-c2ccc(OC)c(OCC)c2)n1
InChIInChI=1S/C13H15N3O2S/c1-3-18-11-6-8(4-5-10(11)17-2)13-16-9(7-19-13)12(14)15/h4-7H,3H2,1-2H3,(H3,14,15)
InChIKeyGLMGIRJXGXYBSF-UHFFFAOYSA-N
XLogP2.50
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82515888
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbothioamide
CID 82515938
2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427214
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066159
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516068
2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 20986632
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067970
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 22680767

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide?
The IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide (CID 82515896) is 2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for 2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide?
The canonical SMILES for 2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide is [H]/N=C(\N)c1csc(-c2ccc(OC)c(OCC)c2)n1.
What is the InChIKey of 2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide?
The InChIKey is GLMGIRJXGXYBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-18-11-6-8(4-5-10(11)17-2)13-16-9(7-19-13)12(14)15/h4-7H,3H2,1-2H3,(H3,14,15).
What are the key properties of 2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide?
2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide has a molecular weight of 277.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 82515896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).