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

C14H24N4S — CID 75533391

IUPAC2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1cnc(C)s1)NC1CCC(C)CC1
InChIInChI=1S/C14H24N4S/c1-10-4-6-12(7-5-10)18-14(15-3)17-9-13-8-16-11(2)19-13/h8,10,12H,4-7,9H2,1-3H3,(H2,15,17,18)
InChIKeyXWSQIDLXUUZOFG-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.70
Rot. Bonds3

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

2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine (PubChem CID 75533391) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
PubChem CID75533391
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1cnc(C)s1)NC1CCC(C)CC1
InChIInChI=1S/C14H24N4S/c1-10-4-6-12(7-5-10)18-14(15-3)17-9-13-8-16-11(2)19-13/h8,10,12H,4-7,9H2,1-3H3,(H2,15,17,18)
InChIKeyXWSQIDLXUUZOFG-UHFFFAOYSA-N
XLogP2.70
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine (CID 75533391) is 2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine is C/N=C(\NCc1cnc(C)s1)NC1CCC(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The InChIKey is XWSQIDLXUUZOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10-4-6-12(7-5-10)18-14(15-3)17-9-13-8-16-11(2)19-13/h8,10,12H,4-7,9H2,1-3H3,(H2,15,17,18).
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine has a molecular weight of 280.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 75533391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).