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

C24H31N5S — CID 71493914

IUPACN'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(-c3cnc(C(C)(C)C)cn3)cs2)cc1C
InChIInChI=1S/C24H31N5S/c1-8-29(7)15-27-19-10-16(2)18(9-17(19)3)11-23-28-21(14-30-23)20-12-26-22(13-25-20)24(4,5)6/h9-10,12-15H,8,11H2,1-7H3/b27-15+
InChIKeyAZVFHBSDINQCRR-JFLMPSFJSA-N
MW421.61 g/mol
LogP5.72
Rot. Bonds6

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

N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 71493914) has the molecular formula C24H31N5S and a molecular weight of 421.61 g/mol. Its IUPAC name is N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID71493914
Molecular FormulaC24H31N5S
Molecular Weight421.61 g/mol
Exact Mass421.23
IUPAC NameN'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(-c3cnc(C(C)(C)C)cn3)cs2)cc1C
InChIInChI=1S/C24H31N5S/c1-8-29(7)15-27-19-10-16(2)18(9-17(19)3)11-23-28-21(14-30-23)20-12-26-22(13-25-20)24(4,5)6/h9-10,12-15H,8,11H2,1-7H3/b27-15+
InChIKeyAZVFHBSDINQCRR-JFLMPSFJSA-N
XLogP5.72
TPSA54.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.61
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-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'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 71493914) is N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Cc2nc(-c3cnc(C(C)(C)C)cn3)cs2)cc1C.
What is the InChIKey of N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is AZVFHBSDINQCRR-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H31N5S/c1-8-29(7)15-27-19-10-16(2)18(9-17(19)3)11-23-28-21(14-30-23)20-12-26-22(13-25-20)24(4,5)6/h9-10,12-15H,8,11H2,1-7H3/b27-15+.
What are the key properties of N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 421.61 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[4-(5-tert-butylpyrazin-2-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 71493914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).