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

C18H18N4OS — CID 111046163

IUPAC1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H18N4OS/c1-23-15-9-7-14(8-10-15)21-18(19)20-11-17-22-16(12-24-17)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,19,20,21)
InChIKeyMCTWRZVHELJMFE-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.75
Rot. Bonds5

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

1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 111046163) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID111046163
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H18N4OS/c1-23-15-9-7-14(8-10-15)21-18(19)20-11-17-22-16(12-24-17)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,19,20,21)
InChIKeyMCTWRZVHELJMFE-UHFFFAOYSA-N
XLogP3.75
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.75
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'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111046213
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111817423
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398
2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 119164616
1-(4-methoxyphenyl)-2-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111045247
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111038312
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038290

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine (CID 111046163) is 1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine is COc1ccc(N/C(N)=N/Cc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is MCTWRZVHELJMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-23-15-9-7-14(8-10-15)21-18(19)20-11-17-22-16(12-24-17)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,19,20,21).
What are the key properties of 1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine?
1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 338.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 111046163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).