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

C12H21N5S — CID 114128975

IUPAC1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCc1cnc(C/N=C(\NN)NC2CCCCC2)s1
InChIInChI=1S/C12H21N5S/c1-9-7-14-11(18-9)8-15-12(17-13)16-10-5-3-2-4-6-10/h7,10H,2-6,8,13H2,1H3,(H2,15,16,17)
InChIKeyVSEIRLYOICROOX-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.69
Rot. Bonds3

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

1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 114128975) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID114128975
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCc1cnc(C/N=C(\NN)NC2CCCCC2)s1
InChIInChI=1S/C12H21N5S/c1-9-7-14-11(18-9)8-15-12(17-13)16-10-5-3-2-4-6-10/h7,10H,2-6,8,13H2,1H3,(H2,15,16,17)
InChIKeyVSEIRLYOICROOX-UHFFFAOYSA-N
XLogP1.69
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495610
1-cyclopropyl-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111495609
1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513137
1-cyclopentyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495840
2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 103696917
1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine
CID 116515958
1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine
CID 106379079
1-amino-3-cyclohexyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 104887221
1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine
CID 116512388
1-(3-cyclopentylpropyl)-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111523248
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
1-cyclohexyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110956978

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine (CID 114128975) is 1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine is Cc1cnc(C/N=C(\NN)NC2CCCCC2)s1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is VSEIRLYOICROOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-9-7-14-11(18-9)8-15-12(17-13)16-10-5-3-2-4-6-10/h7,10H,2-6,8,13H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 267.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 114128975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).