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

C20H25N5S — CID 163736430

IUPACN'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(C3=NCCN=C3)cs2)cc1C
InChIInChI=1S/C20H25N5S/c1-5-25(4)13-23-17-9-14(2)16(8-15(17)3)10-20-24-19(12-26-20)18-11-21-6-7-22-18/h8-9,11-13H,5-7,10H2,1-4H3/b23-13+
InChIKeyLDZLPCAJVOBZLT-YDZHTSKRSA-N
MW367.52 g/mol
LogP3.84
Rot. Bonds6

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

N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 163736430) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID163736430
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC NameN'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(C3=NCCN=C3)cs2)cc1C
InChIInChI=1S/C20H25N5S/c1-5-25(4)13-23-17-9-14(2)16(8-15(17)3)10-20-24-19(12-26-20)18-11-21-6-7-22-18/h8-9,11-13H,5-7,10H2,1-4H3/b23-13+
InChIKeyLDZLPCAJVOBZLT-YDZHTSKRSA-N
XLogP3.84
TPSA53.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.84
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 163736430) is N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Cc2nc(C3=NCCN=C3)cs2)cc1C.
What is the InChIKey of N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is LDZLPCAJVOBZLT-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H25N5S/c1-5-25(4)13-23-17-9-14(2)16(8-15(17)3)10-20-24-19(12-26-20)18-11-21-6-7-22-18/h8-9,11-13H,5-7,10H2,1-4H3/b23-13+.
What are the key properties of N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 367.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[4-(2,3-dihydropyrazin-5-yl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 163736430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).