2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide

C16H21N3OS — CID 82429808

IUPAC2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCOc2ccc(C)cc2C)nc1CC
InChIInChI=1S/C16H21N3OS/c1-4-12-15(16(17)18)21-14(19-12)7-8-20-13-6-5-10(2)9-11(13)3/h5-6,9H,4,7-8H2,1-3H3,(H3,17,18)
InChIKeyOUENXHZJAIIRRB-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.23
Rot. Bonds6

About 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide

2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide (PubChem CID 82429808) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide
PubChem CID82429808
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCOc2ccc(C)cc2C)nc1CC
InChIInChI=1S/C16H21N3OS/c1-4-12-15(16(17)18)21-14(19-12)7-8-20-13-6-5-10(2)9-11(13)3/h5-6,9H,4,7-8H2,1-3H3,(H3,17,18)
InChIKeyOUENXHZJAIIRRB-UHFFFAOYSA-N
XLogP3.23
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
CID 82429750
4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
CID 82428484
2-[(2-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431812
[2-[2-(2,4-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441066
1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429727
2-[3-(2,5-dimethylphenoxy)propyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760607
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82428956
2-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82426922
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide
CID 82428295
[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432518
2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429557

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide (CID 82429808) is 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CCOc2ccc(C)cc2C)nc1CC.
What is the InChIKey of 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide?
The InChIKey is OUENXHZJAIIRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-12-15(16(17)18)21-14(19-12)7-8-20-13-6-5-10(2)9-11(13)3/h5-6,9H,4,7-8H2,1-3H3,(H3,17,18).
What are the key properties of 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide?
2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide has a molecular weight of 303.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82429808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).