2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine

C9H16N4S — CID 110935335

IUPAC2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
SMILESCc1csc(CCCCN=C(N)N)n1
InChIInChI=1S/C9H16N4S/c1-7-6-14-8(13-7)4-2-3-5-12-9(10)11/h6H,2-5H2,1H3,(H4,10,11,12)
InChIKeyYQXZKZOCQXHXAX-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.05
Rot. Bonds5

About 2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine

2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine (PubChem CID 110935335) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine.

Molecular Properties

Compound Name2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
PubChem CID110935335
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
SMILESCc1csc(CCCCN=C(N)N)n1
InChIInChI=1S/C9H16N4S/c1-7-6-14-8(13-7)4-2-3-5-12-9(10)11/h6H,2-5H2,1H3,(H4,10,11,12)
InChIKeyYQXZKZOCQXHXAX-UHFFFAOYSA-N
XLogP1.05
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1,3,3-tetramethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098812
N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111098854
1,3-diethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 110935338
1-(3-methylbutyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098770
1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111097891
N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]azepane-1-carboximidamide
CID 75495266
1-(4-ethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098804
1-(6-methylheptan-2-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098794
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111098800
2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-octylguanidine
CID 111097861
1-(3-methylbutyl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111097844
N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide
CID 63244937

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine?
The IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine (CID 110935335) is 2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine.
What is the SMILES notation for 2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine?
The canonical SMILES for 2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine is Cc1csc(CCCCN=C(N)N)n1.
What is the InChIKey of 2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine?
The InChIKey is YQXZKZOCQXHXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-6-14-8(13-7)4-2-3-5-12-9(10)11/h6H,2-5H2,1H3,(H4,10,11,12).
What are the key properties of 2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine?
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine has a molecular weight of 212.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine is sourced from PubChem (CID 110935335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).