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

C15H19IN4OS — CID 119164616

IUPAC2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/Cc2nc(C3CC3)cs2)c1.I
InChIInChI=1S/C15H18N4OS.HI/c1-20-12-4-2-3-11(7-12)18-15(16)17-8-14-19-13(9-21-14)10-5-6-10;/h2-4,7,9-10H,5-6,8H2,1H3,(H3,16,17,18);1H
InChIKeyKKDFOWGTOACXNJ-UHFFFAOYSA-N
MW430.32 g/mol
LogP3.57
Rot. Bonds5

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

2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide (PubChem CID 119164616) has the molecular formula C15H19IN4OS and a molecular weight of 430.32 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
PubChem CID119164616
Molecular FormulaC15H19IN4OS
Molecular Weight430.32 g/mol
Exact Mass430.03
IUPAC Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/Cc2nc(C3CC3)cs2)c1.I
InChIInChI=1S/C15H18N4OS.HI/c1-20-12-4-2-3-11(7-12)18-15(16)17-8-14-19-13(9-21-14)10-5-6-10;/h2-4,7,9-10H,5-6,8H2,1H3,(H3,16,17,18);1H
InChIKeyKKDFOWGTOACXNJ-UHFFFAOYSA-N
XLogP3.57
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 53.57
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

2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine
CID 119164619
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine
CID 119148420
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111046163
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030481
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111078858
1-(3-methoxyphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111809385
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752271
methyl 6-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]-2-cyclopropylpyridine-3-carboxylate;hydroiodide
CID 110018014
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
2-[[2-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111053898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide (CID 119164616) is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide is COc1cccc(N/C(N)=N/Cc2nc(C3CC3)cs2)c1.I.
What is the InChIKey of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is KKDFOWGTOACXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.HI/c1-20-12-4-2-3-11(7-12)18-15(16)17-8-14-19-13(9-21-14)10-5-6-10;/h2-4,7,9-10H,5-6,8H2,1H3,(H3,16,17,18);1H.
What are the key properties of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 430.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 119164616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).