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

C13H16N4OS — CID 62893551

IUPAC3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COCCc1scnc1C
InChIInChI=1S/C13H16N4OS/c1-9-11(19-8-17-9)4-6-18-7-10-3-2-5-16-12(10)13(14)15/h2-3,5,8H,4,6-7H2,1H3,(H3,14,15)
InChIKeyYXJRWTCFOOICKU-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.89
Rot. Bonds6

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

3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide (PubChem CID 62893551) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
PubChem CID62893551
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COCCc1scnc1C
InChIInChI=1S/C13H16N4OS/c1-9-11(19-8-17-9)4-6-18-7-10-3-2-5-16-12(10)13(14)15/h2-3,5,8H,4,6-7H2,1H3,(H3,14,15)
InChIKeyYXJRWTCFOOICKU-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

4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 63882610
3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
CID 62893552
3-(hexoxymethyl)pyridine-2-carboximidamide
CID 62895257
3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide
CID 103402875
4-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzenecarboximidamide
CID 61298652
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-[(2-bromophenyl)methoxymethyl]pyridine-2-carboximidamide
CID 82823385
3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62895772
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
3-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 107724715
3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894051
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894239

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide (CID 62893551) is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COCCc1scnc1C.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide?
The InChIKey is YXJRWTCFOOICKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-11(19-8-17-9)4-6-18-7-10-3-2-5-16-12(10)13(14)15/h2-3,5,8H,4,6-7H2,1H3,(H3,14,15).
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide?
3-[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 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62893551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).