4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide

C13H16N4OS — CID 63882610

IUPAC4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COCCc2scnc2C)ccn1
InChIInChI=1S/C13H16N4OS/c1-9-12(19-8-17-9)3-5-18-7-10-2-4-16-11(6-10)13(14)15/h2,4,6,8H,3,5,7H2,1H3,(H3,14,15)
InChIKeyBUFOGZYRNKOAMS-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.89
Rot. Bonds6

About 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide

4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide (PubChem CID 63882610) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
PubChem CID63882610
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COCCc2scnc2C)ccn1
InChIInChI=1S/C13H16N4OS/c1-9-12(19-8-17-9)3-5-18-7-10-2-4-16-11(6-10)13(14)15/h2,4,6,8H,3,5,7H2,1H3,(H3,14,15)
InChIKeyBUFOGZYRNKOAMS-UHFFFAOYSA-N
XLogP1.89
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.89
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-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide
CID 103177983
4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide
CID 61298652
4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63880687
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882645
4-(furan-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63882428
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 63882416
2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]propanoic acid
CID 105344837
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide (CID 63882610) is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(COCCc2scnc2C)ccn1.
What is the InChIKey of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide?
The InChIKey is BUFOGZYRNKOAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-12(19-8-17-9)3-5-18-7-10-2-4-16-11(6-10)13(14)15/h2,4,6,8H,3,5,7H2,1H3,(H3,14,15).
What are the key properties of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide?
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide has a molecular weight of 276.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63882610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).