2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine

C14H18N4OS — CID 119148420

IUPAC2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine
SMILESCCc1cnc(C/N=C(\N)Nc2cccc(OC)c2)s1
InChIInChI=1S/C14H18N4OS/c1-3-12-8-16-13(20-12)9-17-14(15)18-10-5-4-6-11(7-10)19-2/h4-8H,3,9H2,1-2H3,(H3,15,17,18)
InChIKeyRGMQKZGGVZFPMD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.64
Rot. Bonds5

About 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine

2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine (PubChem CID 119148420) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine
PubChem CID119148420
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine
SMILESCCc1cnc(C/N=C(\N)Nc2cccc(OC)c2)s1
InChIInChI=1S/C14H18N4OS/c1-3-12-8-16-13(20-12)9-17-14(15)18-10-5-4-6-11(7-10)19-2/h4-8H,3,9H2,1-2H3,(H3,15,17,18)
InChIKeyRGMQKZGGVZFPMD-UHFFFAOYSA-N
XLogP2.64
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.64
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

2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
CID 103696932
2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111822072
2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 119164616
2-[(2-ethoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111044251
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
1-(3-methoxyphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111804523
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-methoxyphenyl)guanidine
CID 119120487
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111053993
1-(3-methoxyphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111048806
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111078858
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111809159
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine?
The IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine (CID 119148420) is 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine?
The canonical SMILES for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine is CCc1cnc(C/N=C(\N)Nc2cccc(OC)c2)s1.
What is the InChIKey of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine?
The InChIKey is RGMQKZGGVZFPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-12-8-16-13(20-12)9-17-14(15)18-10-5-4-6-11(7-10)19-2/h4-8H,3,9H2,1-2H3,(H3,15,17,18).
What are the key properties of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine?
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine has a molecular weight of 290.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine is sourced from PubChem (CID 119148420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).