2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

C19H26N4S — CID 111933627

IUPAC2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\NCCc1csc(C)n1)NCC1CCCc2ccccc21
InChIInChI=1S/C19H26N4S/c1-14-23-17(13-24-14)10-11-21-19(20-2)22-12-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9,13,16H,5,7-8,10-12H2,1-2H3,(H2,20,21,22)
InChIKeyUMJGXBGWRKRDMQ-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.28
Rot. Bonds5

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

2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (PubChem CID 111933627) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
PubChem CID111933627
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESC/N=C(\NCCc1csc(C)n1)NCC1CCCc2ccccc21
InChIInChI=1S/C19H26N4S/c1-14-23-17(13-24-14)10-11-21-19(20-2)22-12-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9,13,16H,5,7-8,10-12H2,1-2H3,(H2,20,21,22)
InChIKeyUMJGXBGWRKRDMQ-UHFFFAOYSA-N
XLogP3.28
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.28
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-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111870531
1-(3-methoxypropyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 110975219
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933363
1-(2-cyclohexylethyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932951
2-methyl-1-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111125764
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111934065
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111934064
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111339677
1-(4-cyclopentylbutyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111608892
1-(3-cyclopentylpropyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932559
N-methyl-3-[2-[[N'-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111632014
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-1-ylethyl)guanidine
CID 111934353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (CID 111933627) is 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is C/N=C(\NCCc1csc(C)n1)NCC1CCCc2ccccc21.
What is the InChIKey of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The InChIKey is UMJGXBGWRKRDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-14-23-17(13-24-14)10-11-21-19(20-2)22-12-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9,13,16H,5,7-8,10-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine has a molecular weight of 342.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 111933627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).