1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine

C17H22N6S — CID 111535580

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
SMILESCCc1cnc(CN/C(=N\C)NCCc2cn3ccccc3n2)s1
InChIInChI=1S/C17H22N6S/c1-3-14-10-20-16(24-14)11-21-17(18-2)19-8-7-13-12-23-9-5-4-6-15(23)22-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H2,18,19,21)
InChIKeyMCHGXSOVTCGMKR-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.26
Rot. Bonds6

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine (PubChem CID 111535580) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
PubChem CID111535580
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
SMILESCCc1cnc(CN/C(=N\C)NCCc2cn3ccccc3n2)s1
InChIInChI=1S/C17H22N6S/c1-3-14-10-20-16(24-14)11-21-17(18-2)19-8-7-13-12-23-9-5-4-6-15(23)22-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H2,18,19,21)
InChIKeyMCHGXSOVTCGMKR-UHFFFAOYSA-N
XLogP2.26
TPSA66.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.26
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-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111531620
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111533763
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 111533779
1-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941621
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 111531472
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111374526
1-[2-(2-chlorophenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111882473
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119148965

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine (CID 111535580) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine is CCc1cnc(CN/C(=N\C)NCCc2cn3ccccc3n2)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine?
The InChIKey is MCHGXSOVTCGMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-3-14-10-20-16(24-14)11-21-17(18-2)19-8-7-13-12-23-9-5-4-6-15(23)22-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine has a molecular weight of 342.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine is sourced from PubChem (CID 111535580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).