3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine

C17H24N6OS2 — CID 109456850

IUPAC3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N(C)Cc1csc(C(C)OC)n1
InChIInChI=1S/C17H24N6OS2/c1-5-18-16(19-8-13-10-23-6-7-25-17(23)21-13)22(3)9-14-11-26-15(20-14)12(2)24-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyDJEZYTSTSHXGQT-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.16
Rot. Bonds7

About 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine

3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine (PubChem CID 109456850) has the molecular formula C17H24N6OS2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine.

Molecular Properties

Compound Name3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
PubChem CID109456850
Molecular FormulaC17H24N6OS2
Molecular Weight392.55 g/mol
Exact Mass392.15
IUPAC Name3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N(C)Cc1csc(C(C)OC)n1
InChIInChI=1S/C17H24N6OS2/c1-5-18-16(19-8-13-10-23-6-7-25-17(23)21-13)22(3)9-14-11-26-15(20-14)12(2)24-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyDJEZYTSTSHXGQT-UHFFFAOYSA-N
XLogP3.16
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 109455226
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
CID 111281510
2-[(4-bromothiophen-2-yl)methyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 109456855
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 109455516
2-[2-(diethylamino)propyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 109457195
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-(2-methoxy-2-methylpropyl)-1-methylguanidine
CID 109454704
3-[[ethylamino-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methylidene]amino]-2,2-dimethylpropanamide
CID 109455548
2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109456184
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 109455615
3-[[ethylamino-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 109455547
2-(3-ethoxypropyl)-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109456876
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109455497

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
The IUPAC name of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine (CID 109456850) is 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine.
What is the SMILES notation for 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
The canonical SMILES for 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine is CCN/C(=N\Cc1cn2ccsc2n1)N(C)Cc1csc(C(C)OC)n1.
What is the InChIKey of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
The InChIKey is DJEZYTSTSHXGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS2/c1-5-18-16(19-8-13-10-23-6-7-25-17(23)21-13)22(3)9-14-11-26-15(20-14)12(2)24-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,18,19).
What are the key properties of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine has a molecular weight of 392.55 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine is sourced from PubChem (CID 109456850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).