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

C15H20N4S — CID 111817462

IUPAC2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/Cc2sc(C)nc2C)c1
InChIInChI=1S/C15H20N4S/c1-4-12-6-5-7-13(8-12)19-15(16)17-9-14-10(2)18-11(3)20-14/h5-8H,4,9H2,1-3H3,(H3,16,17,19)
InChIKeyPEQLMKSIBRSNDH-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.25
Rot. Bonds4

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

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine (PubChem CID 111817462) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine
PubChem CID111817462
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/Cc2sc(C)nc2C)c1
InChIInChI=1S/C15H20N4S/c1-4-12-6-5-7-13(8-12)19-15(16)17-9-14-10(2)18-11(3)20-14/h5-8H,4,9H2,1-3H3,(H3,16,17,19)
InChIKeyPEQLMKSIBRSNDH-UHFFFAOYSA-N
XLogP3.25
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.25
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

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111817470
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111026478
2-[(5-bromothiophen-2-yl)methyl]-1-(3-ethylphenyl)guanidine
CID 111066974
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111026477
1-(3-ethylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119120632
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111817557
1-(3-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045961
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine
CID 111090499
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine
CID 122099352
2-[(4-bromophenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111800437
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111090498
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111034476

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine (CID 111817462) is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine is CCc1cccc(N/C(N)=N/Cc2sc(C)nc2C)c1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine?
The InChIKey is PEQLMKSIBRSNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-4-12-6-5-7-13(8-12)19-15(16)17-9-14-10(2)18-11(3)20-14/h5-8H,4,9H2,1-3H3,(H3,16,17,19).
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine?
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine has a molecular weight of 288.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 111817462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).