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

C15H26N4OS — CID 111532899

IUPAC1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine
SMILESCCc1cnc(CCN/C(=N/C)NCCC2CCCO2)s1
InChIInChI=1S/C15H26N4OS/c1-3-13-11-19-14(21-13)7-9-18-15(16-2)17-8-6-12-5-4-10-20-12/h11-12H,3-10H2,1-2H3,(H2,16,17,18)
InChIKeyPVRQJVGMNDPZAS-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.98
Rot. Bonds7

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

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine (PubChem CID 111532899) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine
PubChem CID111532899
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine
SMILESCCc1cnc(CCN/C(=N/C)NCCC2CCCO2)s1
InChIInChI=1S/C15H26N4OS/c1-3-13-11-19-14(21-13)7-9-18-15(16-2)17-8-6-12-5-4-10-20-12/h11-12H,3-10H2,1-2H3,(H2,16,17,18)
InChIKeyPVRQJVGMNDPZAS-UHFFFAOYSA-N
XLogP1.98
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.98
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

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512833
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111510323
1-[(1-ethylpiperidin-3-yl)methyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111531705
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111465752
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 75518600
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111531371
3-[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111532358
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111533679
1-[2-(2,6-difluorophenyl)ethyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111532980
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111532074
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111532098
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111512277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine (CID 111532899) is 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine is CCc1cnc(CCN/C(=N/C)NCCC2CCCO2)s1.
What is the InChIKey of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is PVRQJVGMNDPZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-3-13-11-19-14(21-13)7-9-18-15(16-2)17-8-6-12-5-4-10-20-12/h11-12H,3-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine?
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 310.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111532899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).