2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine

C17H21ClN6S — CID 119163225

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1cn2cc(Cl)ccc2n1)NCc1sc(C)nc1C
InChIInChI=1S/C17H21ClN6S/c1-4-19-17(21-8-15-11(2)22-12(3)25-15)20-7-14-10-24-9-13(18)5-6-16(24)23-14/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,20,21)
InChIKeyQALIUWBXSVXFHA-UHFFFAOYSA-N
MW376.92 g/mol
LogP3.32
Rot. Bonds5

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine (PubChem CID 119163225) has the molecular formula C17H21ClN6S and a molecular weight of 376.92 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine
PubChem CID119163225
Molecular FormulaC17H21ClN6S
Molecular Weight376.92 g/mol
Exact Mass376.12
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1cn2cc(Cl)ccc2n1)NCc1sc(C)nc1C
InChIInChI=1S/C17H21ClN6S/c1-4-19-17(21-8-15-11(2)22-12(3)25-15)20-7-14-10-24-9-13(18)5-6-16(24)23-14/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,20,21)
InChIKeyQALIUWBXSVXFHA-UHFFFAOYSA-N
XLogP3.32
TPSA66.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.92
LogP ≤ 53.32
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

2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine
CID 91646274
2-[(4-chlorophenyl)methyl]-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine
CID 111760703
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111777062
2-[(4-bromo-2-fluorophenyl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111977669
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 119163152
1-[2-(4-chlorophenoxy)ethyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine
CID 111775824
2-[(5-bromothiophen-3-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine;hydroiodide
CID 119163270
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111774163
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111987258
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111776033
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111776874
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 111849418

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine (CID 119163225) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine is CCN/C(=N\Cc1cn2cc(Cl)ccc2n1)NCc1sc(C)nc1C.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine?
The InChIKey is QALIUWBXSVXFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6S/c1-4-19-17(21-8-15-11(2)22-12(3)25-15)20-7-14-10-24-9-13(18)5-6-16(24)23-14/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine has a molecular weight of 376.92 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine is sourced from PubChem (CID 119163225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).