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

C15H19N3OS — CID 82429750

IUPAC4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCOc2ccc(C)cc2)nc1CC
InChIInChI=1S/C15H19N3OS/c1-3-12-14(15(16)17)20-13(18-12)8-9-19-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H3,16,17)
InChIKeyXWWWYUTWSOQRCL-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.92
Rot. Bonds6

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

4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide (PubChem CID 82429750) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
PubChem CID82429750
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCOc2ccc(C)cc2)nc1CC
InChIInChI=1S/C15H19N3OS/c1-3-12-14(15(16)17)20-13(18-12)8-9-19-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H3,16,17)
InChIKeyXWWWYUTWSOQRCL-UHFFFAOYSA-N
XLogP2.92
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.92
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'}

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Related Compounds

2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429808
4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
CID 82428484
2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82430088
1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429925
2-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82426922
1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850
4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428854
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide
CID 82428295
4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
CID 83967534
2-[(2-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431812
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide (CID 82429750) is 4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CCOc2ccc(C)cc2)nc1CC.
What is the InChIKey of 4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide?
The InChIKey is XWWWYUTWSOQRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-12-14(15(16)17)20-13(18-12)8-9-19-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H3,16,17).
What are the key properties of 4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide?
4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide has a molecular weight of 289.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82429750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).