1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine

C19H20N4O2S — CID 111038290

IUPAC1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C19H20N4O2S/c1-24-16-9-8-14(10-17(16)25-2)23-19(20)21-11-15-12-26-18(22-15)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H3,20,21,23)
InChIKeyFSNYISPPBHHWQJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.75
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine (PubChem CID 111038290) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
PubChem CID111038290
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C19H20N4O2S/c1-24-16-9-8-14(10-17(16)25-2)23-19(20)21-11-15-12-26-18(22-15)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H3,20,21,23)
InChIKeyFSNYISPPBHHWQJ-UHFFFAOYSA-N
XLogP3.75
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.75
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-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111038312
1-(3,4-dimethoxyphenyl)-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111099498
1-tert-butyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038265
1-(3-chloro-4-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111806970
1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
CID 120580617
1-(2-methylpropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038263
1-(3-methylbutyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038251
1-(3-ethoxypropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038280
1-(3,4-dimethoxyphenyl)-2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]guanidine
CID 110028964
1-(3,4-dimethoxyphenyl)-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine
CID 111096255
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111213857
1-(3,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
CID 111808554

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine (CID 111038290) is 1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine is COc1ccc(N/C(N)=N/Cc2csc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine?
The InChIKey is FSNYISPPBHHWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-24-16-9-8-14(10-17(16)25-2)23-19(20)21-11-15-12-26-18(22-15)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H3,20,21,23).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine?
1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine has a molecular weight of 368.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 111038290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).