1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide

C19H23IN4OS — CID 119158156

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(/NCc1ccc(-c2ccccc2)o1)NCc1nc(C)c(C)s1.I
InChIInChI=1S/C19H22N4OS.HI/c1-13-14(2)25-18(23-13)12-22-19(20-3)21-11-16-9-10-17(24-16)15-7-5-4-6-8-15;/h4-10H,11-12H2,1-3H3,(H2,20,21,22);1H
InChIKeyUSGAUJXZQSANEH-UHFFFAOYSA-N
MW482.39 g/mol
LogP4.50
Rot. Bonds5

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide (PubChem CID 119158156) has the molecular formula C19H23IN4OS and a molecular weight of 482.39 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide
PubChem CID119158156
Molecular FormulaC19H23IN4OS
Molecular Weight482.39 g/mol
Exact Mass482.06
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(/NCc1ccc(-c2ccccc2)o1)NCc1nc(C)c(C)s1.I
InChIInChI=1S/C19H22N4OS.HI/c1-13-14(2)25-18(23-13)12-22-19(20-3)21-11-16-9-10-17(24-16)15-7-5-4-6-8-15;/h4-10H,11-12H2,1-3H3,(H2,20,21,22);1H
InChIKeyUSGAUJXZQSANEH-UHFFFAOYSA-N
XLogP4.50
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111775689
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111775690
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111987252
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111773793
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111772900
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110965981
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952275
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine
CID 110965982
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(1H-indol-3-yl)propyl]-2-methylguanidine
CID 111983601
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111776933
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111894224
N-[2-[[N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111988274

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide (CID 119158156) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide is C/N=C(/NCc1ccc(-c2ccccc2)o1)NCc1nc(C)c(C)s1.I.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is USGAUJXZQSANEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS.HI/c1-13-14(2)25-18(23-13)12-22-19(20-3)21-11-16-9-10-17(24-16)15-7-5-4-6-8-15;/h4-10H,11-12H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 482.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(5-phenylfuran-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119158156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).