4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide

C15H19N3O2S — CID 61298652

IUPAC4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOCCc2scnc2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-14(21-10-18-11)6-7-19-8-9-20-13-4-2-12(3-5-13)15(16)17/h2-5,10H,6-9H2,1H3,(H3,16,17)
InChIKeyPSJVLTZHAIMDIC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.37
Rot. Bonds8

About 4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide

4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide (PubChem CID 61298652) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide
PubChem CID61298652
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOCCc2scnc2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-14(21-10-18-11)6-7-19-8-9-20-13-4-2-12(3-5-13)15(16)17/h2-5,10H,6-9H2,1H3,(H3,16,17)
InChIKeyPSJVLTZHAIMDIC-UHFFFAOYSA-N
XLogP2.37
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 62893551
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 63882610
4-butoxybenzenecarboximidamide
CID 3015454
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
4-[2-(3,4-dichlorophenoxy)ethoxy]benzenecarboximidamide
CID 61301174
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-octoxybenzenecarboximidamide
CID 3302492
4-[2-(2-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61300207

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide (CID 61298652) is 4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCOCCc2scnc2C)cc1.
What is the InChIKey of 4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide?
The InChIKey is PSJVLTZHAIMDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-14(21-10-18-11)6-7-19-8-9-20-13-4-2-12(3-5-13)15(16)17/h2-5,10H,6-9H2,1H3,(H3,16,17).
What are the key properties of 4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide?
4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide has a molecular weight of 305.40 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide is sourced from PubChem (CID 61298652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).