N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

C17H23N3OS — CID 71250692

IUPACN-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(CO)cs2)cc1C
InChIInChI=1S/C17H23N3OS/c1-5-20(4)11-18-16-7-12(2)14(6-13(16)3)8-17-19-15(9-21)10-22-17/h6-7,10-11,21H,5,8-9H2,1-4H3/b18-11+
InChIKeyYBCJJCMIMKJKJZ-WOJGMQOQSA-N
MW317.46 g/mol
LogP3.45
Rot. Bonds6

About N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (PubChem CID 71250692) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
PubChem CID71250692
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(CO)cs2)cc1C
InChIInChI=1S/C17H23N3OS/c1-5-20(4)11-18-16-7-12(2)14(6-13(16)3)8-17-19-15(9-21)10-22-17/h6-7,10-11,21H,5,8-9H2,1-4H3/b18-11+
InChIKeyYBCJJCMIMKJKJZ-WOJGMQOQSA-N
XLogP3.45
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (CID 71250692) is N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Cc2nc(CO)cs2)cc1C.
What is the InChIKey of N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The InChIKey is YBCJJCMIMKJKJZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-5-20(4)11-18-16-7-12(2)14(6-13(16)3)8-17-19-15(9-21)10-22-17/h6-7,10-11,21H,5,8-9H2,1-4H3/b18-11+.
What are the key properties of N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide has a molecular weight of 317.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 71250692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).