1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

C18H23N5O2S — CID 111683428

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(/NCc1cn2ccsc2n1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C18H23N5O2S/c1-13(25-16-7-5-4-6-15(16)24-3)10-20-17(19-2)21-11-14-12-23-8-9-26-18(23)22-14/h4-9,12-13H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyVSRDOLPXBKLXML-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.54
Rot. Bonds7

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (PubChem CID 111683428) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
PubChem CID111683428
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(/NCc1cn2ccsc2n1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C18H23N5O2S/c1-13(25-16-7-5-4-6-15(16)24-3)10-20-17(19-2)21-11-14-12-23-8-9-26-18(23)22-14/h4-9,12-13H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyVSRDOLPXBKLXML-UHFFFAOYSA-N
XLogP2.54
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682321
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111683205
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111503189
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111682454
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111682608
1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methylphenoxy)propyl]guanidine
CID 111686328
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 109404417
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 111683938
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine;hydroiodide
CID 111683937
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949083
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111325938
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111847776

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (CID 111683428) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is C/N=C(/NCc1cn2ccsc2n1)NCC(C)Oc1ccccc1OC.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The InChIKey is VSRDOLPXBKLXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-13(25-16-7-5-4-6-15(16)24-3)10-20-17(19-2)21-11-14-12-23-8-9-26-18(23)22-14/h4-9,12-13H,10-11H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine has a molecular weight of 373.48 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111683428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).