1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide

C19H21IN4S — CID 111911715

IUPAC1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1csc(CCc2ccccc2)n1)Nc1ccccc1
InChIInChI=1S/C19H20N4S.HI/c20-19(23-16-9-5-2-6-10-16)21-13-17-14-24-18(22-17)12-11-15-7-3-1-4-8-15;/h1-10,14H,11-13H2,(H3,20,21,23);1H
InChIKeyCSIYPLPCAMNNLL-UHFFFAOYSA-N
MW464.38 g/mol
LogP4.47
Rot. Bonds6

About 1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide

1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide (PubChem CID 111911715) has the molecular formula C19H21IN4S and a molecular weight of 464.38 g/mol. Its IUPAC name is 1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
PubChem CID111911715
Molecular FormulaC19H21IN4S
Molecular Weight464.38 g/mol
Exact Mass464.05
IUPAC Name1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1csc(CCc2ccccc2)n1)Nc1ccccc1
InChIInChI=1S/C19H20N4S.HI/c20-19(23-16-9-5-2-6-10-16)21-13-17-14-24-18(22-17)12-11-15-7-3-1-4-8-15;/h1-10,14H,11-13H2,(H3,20,21,23);1H
InChIKeyCSIYPLPCAMNNLL-UHFFFAOYSA-N
XLogP4.47
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.38
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110927510
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119147213
2-[(3,4-dimethoxyphenyl)methyl]-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
CID 111911707
2-benzyl-1-phenylguanidine
CID 12910062
1-(2,6-diethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111806909
1-phenyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111478539
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111600770
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine
CID 103635624
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111806949
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111038312
1-tert-butyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038265
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide (CID 111911715) is 1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide is I.N/C(=N\Cc1csc(CCc2ccccc2)n1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide?
The InChIKey is CSIYPLPCAMNNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S.HI/c20-19(23-16-9-5-2-6-10-16)21-13-17-14-24-18(22-17)12-11-15-7-3-1-4-8-15;/h1-10,14H,11-13H2,(H3,20,21,23);1H.
What are the key properties of 1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide?
1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide has a molecular weight of 464.38 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111911715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).