2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine

C17H24N4O3S — CID 111517939

IUPAC2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
SMILESC/N=C(\NCc1ncc(C)s1)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C17H24N4O3S/c1-11-8-19-16(25-11)10-21-17(18-2)20-9-12-6-14(23-4)15(24-5)7-13(12)22-3/h6-8H,9-10H2,1-5H3,(H2,18,20,21)
InChIKeyMOAMHGVKFDSJRS-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.34
Rot. Bonds7

About 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine

2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine (PubChem CID 111517939) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
PubChem CID111517939
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
SMILESC/N=C(\NCc1ncc(C)s1)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C17H24N4O3S/c1-11-8-19-16(25-11)10-21-17(18-2)20-9-12-6-14(23-4)15(24-5)7-13(12)22-3/h6-8H,9-10H2,1-5H3,(H2,18,20,21)
InChIKeyMOAMHGVKFDSJRS-UHFFFAOYSA-N
XLogP2.34
TPSA77.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 103700761
1-ethyl-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111522316
N-[2-methoxy-5-[[[N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111523965
1,2-dimethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 110893051
2-methyl-1-(2-methylpropyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111511667
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111523068
1-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111977505
1-(cyclooctylmethyl)-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111523323
2-methyl-1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111225506
1-(5-methoxypentyl)-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111524717
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111518641
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111797449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine (CID 111517939) is 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine is C/N=C(\NCc1ncc(C)s1)NCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine?
The InChIKey is MOAMHGVKFDSJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-11-8-19-16(25-11)10-21-17(18-2)20-9-12-6-14(23-4)15(24-5)7-13(12)22-3/h6-8H,9-10H2,1-5H3,(H2,18,20,21).
What are the key properties of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine?
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine has a molecular weight of 364.47 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111517939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).