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

C16H22N4S — CID 111822089

IUPAC2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
SMILESCCc1cnc(CC/N=C(\N)NCCc2ccccc2)s1
InChIInChI=1S/C16H22N4S/c1-2-14-12-20-15(21-14)9-11-19-16(17)18-10-8-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H3,17,18,19)
InChIKeyOPFQGLPKBMZNPH-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.39
Rot. Bonds7

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

2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine (PubChem CID 111822089) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
PubChem CID111822089
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
SMILESCCc1cnc(CC/N=C(\N)NCCc2ccccc2)s1
InChIInChI=1S/C16H22N4S/c1-2-14-12-20-15(21-14)9-11-19-16(17)18-10-8-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H3,17,18,19)
InChIKeyOPFQGLPKBMZNPH-UHFFFAOYSA-N
XLogP2.39
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.39
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-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-phenylethyl)guanidine
CID 111510580
1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111532000
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111532777
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
CID 111804732
2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111822072
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 119148401
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
N-[4-[2-[[N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]carbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111533382
N-[2-[[N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111531497
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine (CID 111822089) is 2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine is CCc1cnc(CC/N=C(\N)NCCc2ccccc2)s1.
What is the InChIKey of 2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine?
The InChIKey is OPFQGLPKBMZNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-14-12-20-15(21-14)9-11-19-16(17)18-10-8-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H3,17,18,19).
What are the key properties of 2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine?
2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine has a molecular weight of 302.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111822089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).