1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine

C15H26N4S — CID 109470178

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
SMILESCCC1(CN/C(=N\C)NCc2nc(C)c(C)s2)CCC1
InChIInChI=1S/C15H26N4S/c1-5-15(7-6-8-15)10-18-14(16-4)17-9-13-19-11(2)12(3)20-13/h5-10H2,1-4H3,(H2,16,17,18)
InChIKeyYKBKFDHUOHYWDH-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.01
Rot. Bonds5

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

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine (PubChem CID 109470178) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
PubChem CID109470178
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
SMILESCCC1(CN/C(=N\C)NCc2nc(C)c(C)s2)CCC1
InChIInChI=1S/C15H26N4S/c1-5-15(7-6-8-15)10-18-14(16-4)17-9-13-19-11(2)12(3)20-13/h5-10H2,1-4H3,(H2,16,17,18)
InChIKeyYKBKFDHUOHYWDH-UHFFFAOYSA-N
XLogP3.01
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.01
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

1-[(1-ethylcyclobutyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 109470866
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 109470292
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 109468548
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111772900
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111776933
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111775690
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 109470132
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111775689
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111773793
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 109470066
1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
CID 109469183
1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine (CID 109470178) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine is CCC1(CN/C(=N\C)NCc2nc(C)c(C)s2)CCC1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
The InChIKey is YKBKFDHUOHYWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-5-15(7-6-8-15)10-18-14(16-4)17-9-13-19-11(2)12(3)20-13/h5-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine has a molecular weight of 294.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine is sourced from PubChem (CID 109470178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).