1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine

C21H26N4S — CID 111933421

IUPAC1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1csc(C)n1)NCCc1ccc2ccccc2c1
InChIInChI=1S/C21H26N4S/c1-3-22-21(24-13-11-20-15-26-16(2)25-20)23-12-10-17-8-9-18-6-4-5-7-19(18)14-17/h4-9,14-15H,3,10-13H2,1-2H3,(H2,22,23,24)
InChIKeyASUCRVSRGSGIIC-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.95
Rot. Bonds7

About 1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine

1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine (PubChem CID 111933421) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine
PubChem CID111933421
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1csc(C)n1)NCCc1ccc2ccccc2c1
InChIInChI=1S/C21H26N4S/c1-3-22-21(24-13-11-20-15-26-16(2)25-20)23-12-10-17-8-9-18-6-4-5-7-19(18)14-17/h4-9,14-15H,3,10-13H2,1-2H3,(H2,22,23,24)
InChIKeyASUCRVSRGSGIIC-UHFFFAOYSA-N
XLogP3.95
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.95
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-3-[2-(4-methoxyphenyl)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111170434
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111932863
2-benzyl-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110954784
1-ethyl-3-[2-(N-methylanilino)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933243
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350969
1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932451
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933602
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111933937
1-[2-(3,5-dimethylphenoxy)ethyl]-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933791
1-ethyl-3-[2-(4-methylphenyl)sulfanylethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111375826
1-ethyl-3-(2-naphthalen-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111905579
1-ethyl-2-[(4-methylphenyl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111243977

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine (CID 111933421) is 1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine is CCN/C(=N\CCc1csc(C)n1)NCCc1ccc2ccccc2c1.
What is the InChIKey of 1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine?
The InChIKey is ASUCRVSRGSGIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S/c1-3-22-21(24-13-11-20-15-26-16(2)25-20)23-12-10-17-8-9-18-6-4-5-7-19(18)14-17/h4-9,14-15H,3,10-13H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine?
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine has a molecular weight of 366.53 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine is sourced from PubChem (CID 111933421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).