4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide

C11H12N4OS — CID 82440280

IUPAC4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccccn2)nc1COC
InChIInChI=1S/C11H12N4OS/c1-16-6-8-9(10(12)13)17-11(15-8)7-4-2-3-5-14-7/h2-5H,6H2,1H3,(H3,12,13)
InChIKeyOISGFUKWHXCYDL-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.64
Rot. Bonds4

About 4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide

4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide (PubChem CID 82440280) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide
PubChem CID82440280
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccccn2)nc1COC
InChIInChI=1S/C11H12N4OS/c1-16-6-8-9(10(12)13)17-11(15-8)7-4-2-3-5-14-7/h2-5H,6H2,1H3,(H3,12,13)
InChIKeyOISGFUKWHXCYDL-UHFFFAOYSA-N
XLogP1.64
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(methoxymethyl)-2-pyridin-2-yl-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

N-[[4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366796
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
CID 82432584
4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide
CID 82440750
methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 58504091
2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82430088
4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82431708
2-(cyclohexylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboximidamide
CID 82440707
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82439956
4-ethyl-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 91387936
2-[(2-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431812

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide (CID 82440280) is 4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(-c2ccccn2)nc1COC.
What is the InChIKey of 4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide?
The InChIKey is OISGFUKWHXCYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-16-6-8-9(10(12)13)17-11(15-8)7-4-2-3-5-14-7/h2-5H,6H2,1H3,(H3,12,13).
What are the key properties of 4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide?
4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide has a molecular weight of 248.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82440280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).