2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine

C20H24N6S — CID 3054272

IUPAC2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine
SMILESCc1cc(N/C(=N/C2CCCCC2)Nc2nnc(C)s2)c2ccccc2n1
InChIInChI=1S/C20H24N6S/c1-13-12-18(16-10-6-7-11-17(16)21-13)23-19(22-15-8-4-3-5-9-15)24-20-26-25-14(2)27-20/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H2,21,22,23,24,26)
InChIKeyYSUFVRRAEPPLNN-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.92
Rot. Bonds3

About 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine

2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine (PubChem CID 3054272) has the molecular formula C20H24N6S and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine
PubChem CID3054272
Molecular FormulaC20H24N6S
Molecular Weight380.52 g/mol
Exact Mass380.18
IUPAC Name2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine
SMILESCc1cc(N/C(=N/C2CCCCC2)Nc2nnc(C)s2)c2ccccc2n1
InChIInChI=1S/C20H24N6S/c1-13-12-18(16-10-6-7-11-17(16)21-13)23-19(22-15-8-4-3-5-9-15)24-20-26-25-14(2)27-20/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H2,21,22,23,24,26)
InChIKeyYSUFVRRAEPPLNN-UHFFFAOYSA-N
XLogP4.92
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine (CID 3054272) is 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine is Cc1cc(N/C(=N/C2CCCCC2)Nc2nnc(C)s2)c2ccccc2n1.
What is the InChIKey of 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine?
The InChIKey is YSUFVRRAEPPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6S/c1-13-12-18(16-10-6-7-11-17(16)21-13)23-19(22-15-8-4-3-5-9-15)24-20-26-25-14(2)27-20/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H2,21,22,23,24,26).
What are the key properties of 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine?
2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine has a molecular weight of 380.52 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine is sourced from PubChem (CID 3054272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).