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

C17H24N4S — CID 111621846

IUPAC2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1scnc1C)NCC(C)c1ccc(C)cc1
InChIInChI=1S/C17H24N4S/c1-12-5-7-15(8-6-12)13(2)9-19-17(18-4)20-10-16-14(3)21-11-22-16/h5-8,11,13H,9-10H2,1-4H3,(H2,18,19,20)
InChIKeyDIIHZNKYEFOAFE-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.23
Rot. Bonds5

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

2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine (PubChem CID 111621846) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
PubChem CID111621846
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1scnc1C)NCC(C)c1ccc(C)cc1
InChIInChI=1S/C17H24N4S/c1-12-5-7-15(8-6-12)13(2)9-19-17(18-4)20-10-16-14(3)21-11-22-16/h5-8,11,13H,9-10H2,1-4H3,(H2,18,19,20)
InChIKeyDIIHZNKYEFOAFE-UHFFFAOYSA-N
XLogP3.23
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-methyl-N-[2-[[N'-methyl-N-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 111622572
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110970571
1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111680189
2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111686216
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111621915
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893970
2-methyl-1-[2-(4-methylphenyl)propyl]-3-propylguanidine
CID 111622010
1-(3-methoxypropyl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110976101
1-[(2-ethylphenyl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111635248
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111621969
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111678935
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111622603

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine (CID 111621846) is 2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine is C/N=C(\NCc1scnc1C)NCC(C)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The InChIKey is DIIHZNKYEFOAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-12-5-7-15(8-6-12)13(2)9-19-17(18-4)20-10-16-14(3)21-11-22-16/h5-8,11,13H,9-10H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine has a molecular weight of 316.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 111621846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).