1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine

C19H25N5OS — CID 111686328

IUPAC1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1cn2ccsc2n1)NCC(C)Oc1ccccc1C
InChIInChI=1S/C19H25N5OS/c1-4-20-18(22-12-16-13-24-9-10-26-19(24)23-16)21-11-15(3)25-17-8-6-5-7-14(17)2/h5-10,13,15H,4,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyBXCUXSAESJTHKH-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.23
Rot. Bonds7

About 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine

1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine (PubChem CID 111686328) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine
PubChem CID111686328
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1cn2ccsc2n1)NCC(C)Oc1ccccc1C
InChIInChI=1S/C19H25N5OS/c1-4-20-18(22-12-16-13-24-9-10-26-19(24)23-16)21-11-15(3)25-17-8-6-5-7-14(17)2/h5-10,13,15H,4,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyBXCUXSAESJTHKH-UHFFFAOYSA-N
XLogP3.23
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.23
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'}

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Related Compounds

1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 111683938
1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682321
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine;hydroiodide
CID 111683937
1-ethyl-3-[2-(3-fluorophenoxy)propyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine;hydroiodide
CID 111681047
1-ethyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111358950
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 111493980
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111683428
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine;hydroiodide
CID 109495426
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[2-(2-methylphenoxy)propyl]guanidine
CID 109404453
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 109418342
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111686902
1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111015026

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine (CID 111686328) is 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine is CCN/C(=N\Cc1cn2ccsc2n1)NCC(C)Oc1ccccc1C.
What is the InChIKey of 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine?
The InChIKey is BXCUXSAESJTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-4-20-18(22-12-16-13-24-9-10-26-19(24)23-16)21-11-15(3)25-17-8-6-5-7-14(17)2/h5-10,13,15H,4,11-12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine?
1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine has a molecular weight of 371.51 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine is sourced from PubChem (CID 111686328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).