1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine

C13H22N4S — CID 111817540

IUPAC1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESCc1nc(C)c(C/N=C(\N)NC2CCCCC2)s1
InChIInChI=1S/C13H22N4S/c1-9-12(18-10(2)16-9)8-15-13(14)17-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H3,14,15,17)
InChIKeyNJHKLHMBDAKFKX-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.50
Rot. Bonds3

About 1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine

1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine (PubChem CID 111817540) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
PubChem CID111817540
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESCc1nc(C)c(C/N=C(\N)NC2CCCCC2)s1
InChIInChI=1S/C13H22N4S/c1-9-12(18-10(2)16-9)8-15-13(14)17-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H3,14,15,17)
InChIKeyNJHKLHMBDAKFKX-UHFFFAOYSA-N
XLogP2.50
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.50
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-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111807297
1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 119148060
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 71795572
1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine
CID 120913740
1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119120532
1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111065001
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine
CID 19866588
1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096466
1-cyclohexyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120615

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine (CID 111817540) is 1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine is Cc1nc(C)c(C/N=C(\N)NC2CCCCC2)s1.
What is the InChIKey of 1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine?
The InChIKey is NJHKLHMBDAKFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-9-12(18-10(2)16-9)8-15-13(14)17-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H3,14,15,17).
What are the key properties of 1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine?
1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine has a molecular weight of 266.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 111817540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).