2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide

C15H19N3O2S — CID 82427214

IUPAC2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccc(OCC)c(OCC)c2)nc1C
InChIInChI=1S/C15H19N3O2S/c1-4-19-11-7-6-10(8-12(11)20-5-2)15-18-9(3)13(21-15)14(16)17/h6-8H,4-5H2,1-3H3,(H3,16,17)
InChIKeyHYKVSCYMSFCLLS-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.20
Rot. Bonds6

About 2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide

2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide (PubChem CID 82427214) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide
PubChem CID82427214
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccc(OCC)c(OCC)c2)nc1C
InChIInChI=1S/C15H19N3O2S/c1-4-19-11-7-6-10(8-12(11)20-5-2)15-18-9(3)13(21-15)14(16)17/h6-8H,4-5H2,1-3H3,(H3,16,17)
InChIKeyHYKVSCYMSFCLLS-UHFFFAOYSA-N
XLogP3.20
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.20
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

2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide
CID 82515896
2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82430088
2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82425721
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427189
[2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427206
4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide
CID 82437362
[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427187
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
2-(3,4-diethoxyphenyl)ethanimidamide
CID 4071975
ethyl 2-[4-(1,3-benzothiazol-2-yl)-2-ethoxyphenoxy]acetate
CID 126198202
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide (CID 82427214) is 2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(-c2ccc(OCC)c(OCC)c2)nc1C.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide?
The InChIKey is HYKVSCYMSFCLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-19-11-7-6-10(8-12(11)20-5-2)15-18-9(3)13(21-15)14(16)17/h6-8H,4-5H2,1-3H3,(H3,16,17).
What are the key properties of 2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide?
2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide has a molecular weight of 305.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82427214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).