1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide

C15H22IN5OS — CID 111534050

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
SMILESCCc1cnc(CN/C(=N\C)NCc2cccc(OC)n2)s1.I
InChIInChI=1S/C15H21N5OS.HI/c1-4-12-9-17-14(22-12)10-19-15(16-2)18-8-11-6-5-7-13(20-11)21-3;/h5-7,9H,4,8,10H2,1-3H3,(H2,16,18,19);1H
InChIKeyPEIFCUMCWGZACN-UHFFFAOYSA-N
MW447.35 g/mol
LogP2.59
Rot. Bonds6

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 111534050) has the molecular formula C15H22IN5OS and a molecular weight of 447.35 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID111534050
Molecular FormulaC15H22IN5OS
Molecular Weight447.35 g/mol
Exact Mass447.06
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
SMILESCCc1cnc(CN/C(=N\C)NCc2cccc(OC)n2)s1.I
InChIInChI=1S/C15H21N5OS.HI/c1-4-12-9-17-14(22-12)10-19-15(16-2)18-8-11-6-5-7-13(20-11)21-3;/h5-7,9H,4,8,10H2,1-3H3,(H2,16,18,19);1H
InChIKeyPEIFCUMCWGZACN-UHFFFAOYSA-N
XLogP2.59
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 52.59
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111535840
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 109403604
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227678
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111533283
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111513777
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512881
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111509984
1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
CID 110916980
1-(2,2-diphenylethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111516890
1-tert-butyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 110965149
1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111240246
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111534917

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide (CID 111534050) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide is CCc1cnc(CN/C(=N\C)NCc2cccc(OC)n2)s1.I.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is PEIFCUMCWGZACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS.HI/c1-4-12-9-17-14(22-12)10-19-15(16-2)18-8-11-6-5-7-13(20-11)21-3;/h5-7,9H,4,8,10H2,1-3H3,(H2,16,18,19);1H.
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 447.35 g/mol, XLogP of 2.59, 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-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111534050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).